SCHEMBL10665446

SCHEMBL10665446

CNc1ccc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.74
LMNA P02545 4/20 0.66
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
ATM Q13315 1/20 0.63
CDC25B P30305 1/20 0.62
MAPT P10636 4/20 0.61
HTT P42858 2/20 0.61
PARP1 P09874 1/20 0.59
KMT2A Q03164 2/20 0.58
PKM P14618 2/20 0.58
GAA P10253 2/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL27944435 0.87 HCAR3 (0.56) HCAR3LMNAALDH1A1SMN1; SMN2ATM
SCHEMBL27011564 0.86 HCAR3 (0.68) HCAR3LMNAALDH1A1SMN1; SMN2ATM
SCHEMBL321911 0.85 HCAR3 (1.00) HCAR3CDC25BKMT2A
SCHEMBL973813 0.85 HCAR3 (0.77) HCAR3ALDH1A1CDC25BMAPTHTT
Hydrochloric Acid SCHEMBL27006235 0.84 PRSS1 (0.68) HCAR3LMNAALDH1A1SMN1; SMN2ATM
SCHEMBL2253159 0.84 HCAR3 (0.74) HCAR3ALDH1A1SMN1; SMN2CDC25BMAPT
Hydrochloric Acid SCHEMBL321637 0.84 HCAR3 (0.97) HCAR3CDC25BKMT2A
SCHEMBL506550 0.84 HCAR3 (0.74) HCAR3LMNAALDH1A1CDC25BMAPT
SCHEMBL5674224 0.83 HCAR3 (0.76) HCAR3LMNAALDH1A1SMN1; SMN2ATM
Hydrochloric Acid SCHEMBL18813442 0.83 HCAR3 (0.72) HCAR3LMNAALDH1A1CDC25BMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103402987-A 6-Amino-2-phenylamino-1H-benzimidazole-5-carboxamide derivatives and their use as microsomal prostaglandin E2 synthase-1 inhibitors BOEHRINGER INGELHEIM INT 2013-11-20 CN disclosed
US-7381423-B2 Use of nanodispersions in cosmetic end formulations CIBA SPECIALTY CHEMICALS CORP. (US) 2008-06-03 US disclosed
US-4767769-A HISTAMINE-H2 ANTAGONISTS THE BOOTS COMPANY PLC (GB) 1988-08-30 US disclosed
EP-0172631-A1 Therapeutic agents The Boots Company PLC (GB) 1986-02-26 EP disclosed