SCHEMBL7745736

SCHEMBL7745736

CN(C)CCNc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ BCHE P06276 5/20 0.48
▸ ACHE P22303 5/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ KAT2B Q92831 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ RAD52 P43351 1/20 0.41

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
SCHEMBL7746062 0.89 ALDH1A1 (0.71) ALDH1A1NPSR1BCHEACHEKMT2A
SCHEMBL8985656 0.84 KAT2B (0.64) ALDH1A1NPSR1BCHEACHEKMT2A
SCHEMBL3515437 0.84 HCAR3 (0.52) ALDH1A1BCHEACHETDP1ATM
SCHEMBL5352344 0.83 ALDH1A1 (0.80) ALDH1A1NPSR1BCHEACHEKMT2A
SCHEMBL17678162 0.83 ALDH1A1 (0.59) ALDH1A1NPSR1BCHEACHEKMT2A
SCHEMBL9725555 0.82 MAPT (0.56) ALDH1A1NPSR1BCHEACHEKMT2A
SCHEMBL17845498 0.82 ATM (0.51) ALDH1A1TDP1ATMKAT2BMAPT
SCHEMBL30532042 0.82 ATM (0.51) ALDH1A1TDP1ATMKAT2BMAPT
SCHEMBL1283854 0.81 MAPT (0.54) ALDH1A1SMN1; SMN2TDP1ATMKAT2B
SCHEMBL8200406 0.81 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1ATMKAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 — — US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 — — EP disclosed
EP-0314162-A2 Sulfur-containing nitroamino-benzene dyes, process and hair dye compositions Bristol-Myers Squibb Company (US) 1989-05-03 — — EP disclosed
US-4799934-A DIRECT DYES CLAIROL INCORPORATED (US) 1989-01-24 — — US disclosed
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