SCHEMBL9695973

SCHEMBL9695973

CNC(C)N(C)Cc1nc2ccccc2n1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
USP2 O75604 1/20 0.57
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.50
TSHR P16473 2/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.48
CYP2D6 P10635 1/20 0.48
PKM P14618 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL12089187 0.87 SMN1; SMN2 (0.65) SMN1; SMN2USP2NPC1RAB9ALMNA
SCHEMBL14685205 0.80 SMN1; SMN2 (0.68) SMN1; SMN2USP2NPC1RAB9ALMNA
SCHEMBL5610013 0.80 SMN1; SMN2 (0.68) SMN1; SMN2USP2NPC1RAB9ALMNA
SCHEMBL3746825 0.78 SMN1; SMN2 (0.65) SMN1; SMN2USP2NPC1RAB9ALMNA
SCHEMBL31248989 0.78 SMN1; SMN2 (0.65) SMN1; SMN2USP2NPC1RAB9ALMNA
SCHEMBL9697539 0.77 SMN1; SMN2 (0.45) SMN1; SMN2USP2NPC1RAB9ALMNA
SCHEMBL9695968 0.76 SMN1; SMN2 (0.56) SMN1; SMN2USP2NPC1RAB9ALMNA
SCHEMBL1059693 0.76 RAB9A (0.64) SMN1; SMN2USP2NPC1RAB9ALMNA
SCHEMBL11995138 0.75 SMN1; SMN2 (0.61) SMN1; SMN2USP2NPC1RAB9ALMNA
SCHEMBL5608402 0.75 SMN1; SMN2 (0.61) SMN1; SMN2USP2NPC1RAB9ALMNA

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