SCHEMBL9696045

SCHEMBL9696045

OCCN(CCO)c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
BCHE P06276 3/20 0.53
ACHE P22303 1/20 0.53
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ABCB11 O95342 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.43
IDO1 P14902 1/20 0.43
DDAH1 O94760 1/20 0.43

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
SCHEMBL14752596 0.89 CYP1A2 (0.55) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL17329336 0.83 BCHE (0.57) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL6957354 0.83 LMNA (0.63) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL6955715 0.79 LMNA (0.96) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL20677817 0.78 BCHE (0.73) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL8516354 0.76 LMNA (0.51) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL2673648 0.76 LMNA (0.63) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL22227972 0.75 LMNA (0.61) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL5181863 0.73 BCHE (0.81) CYP1A2CYP2D6CYP2C19BCHEEPHX2
SCHEMBL8201331 0.72 BCHE (0.79) CYP1A2CYP2D6CYP2C19BCHEEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149700-A Antiarrhythmic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed
WO-1991018904-A1 SUBSTITUTED ARYLSULFONAMIDES AND BENZAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-12 WO disclosed