SCHEMBL6172008

SCHEMBL6172008

O=[C]c1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HSP90AA1 P07900 1/20 0.39
GPR35 Q9HC97 1/20 0.36
TLR8 Q9NR97 1/20 0.36
VCAM1 P19320 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17760823 0.86 TSHR (0.42) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL11594465 0.86 ALDH1A1 (0.48) ALDH1A1TSHRTDP1GPR35LMNA
SCHEMBL13982688 0.85 TSHR (0.41) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL6305 0.83 VCAM1 (0.50) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL16954397 0.83 ALDH1A1 (0.39) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL670917 0.81 TSHR (0.58) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL2355479 0.80 LMNA (0.47) ALDH1A1VCAM1MEN1KMT2ALMNA
SCHEMBL55225 0.78 GPR35 (0.55) ALDH1A1TSHRTDP1GPR35HPGD
SCHEMBL2353914 0.77 ALDH1A1 (0.67) ALDH1A1TSHRTDP1HPGDMEN1
SCHEMBL10825047 0.77 PMM2 (0.41) ALDH1A1TSHRTDP1GPR35LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 EP claimed
US-4754034-A RECORDING MATERIALS, PRESSURE SENSITIVE, THERMOREACTIVE, ELECTROCHROMIC BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US claimed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP claimed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP claimed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 US claimed
US-6355616-B1 FUNGICIDE OLIGOPEOTIDES XOMA (US) TECHNOLOGY LTD. 2002-03-12 US disclosed
WO-2001000671-A1 DERIVATIVE COMPOUNDS XOMA TECHNOLOGY LTD. (US) 2001-01-04 WO disclosed
US-4968797-A PRESSURE-COPYABLE THERMOREACTIVE AND ELECTROCHROMIC RECORDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
US-4754034-A RECORDING MATERIALS, PRESSURE SENSITIVE, THERMOREACTIVE, ELECTROCHROMIC BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US disclosed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP disclosed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP disclosed
EP-0116884-B1 NITRO-NAPHTHYLAMINE SULPHONIC ACIDS BAYER AG (DE) 1986-04-09 EP disclosed
EP-0116884-A1 Nitro-naphthylamine sulphonic acids BAYER AG (DE) 1984-08-29 EP disclosed
US-4167392-A Transfer printing process for hydrophilic fibrous material or blends of hydrophilic and synthetic fibrous material, with reactive disperse dyes CIBA-GEIGY AG (CH) 1979-09-11 US disclosed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 US disclosed