SCHEMBL11201299

SCHEMBL11201299

N#Cc1ccc(CN2CCN(c3nnc(N)[nH]3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.50
▸ KCNH2 Q12809 2/20 0.46
▸ AR P10275 1/20 0.46
▸ TSHR P16473 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ KCNJ1 P48048 1/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL11194501 0.85 LMNA (0.51) USP2TSHRMEN1KMT2AALDH1A1
SCHEMBL11196110 0.83 ALDH1A1 (0.50) TSHRMEN1KMT2AALDH1A1MAPK1
SCHEMBL11197047 0.83 KDM4E (0.52) KCNH2ARMAPK1GAAOPRM1
SCHEMBL10856538 0.82 GAA (0.58) USP2TSHRMEN1KMT2AATM
SCHEMBL10851723 0.81 TNKS (0.50) TSHRCYP2D6MEN1KMT2ACYP2C9
SCHEMBL10860653 0.80 SIGMAR1 (0.54) TSHRSMN1; SMN2MEN1KMT2AATM
SCHEMBL16825711 0.80 USP2 (0.47) USP2KCNH2ARTSHRSMN1; SMN2
SCHEMBL11197942 0.79 HRH3 (0.45) TSHRSMN1; SMN2MEN1KMT2AHRH3
SCHEMBL20804360 0.77 KCNJ1 (0.66) USP2KCNH2TSHRSMN1; SMN2CYP2D6
SCHEMBL28024576 0.77 KCNJ1 (0.66) USP2KCNH2TSHRSMN1; SMN2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4421753-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-12-20 — — US claimed
Send feedback