SCHEMBL3988944

SCHEMBL3988944

c1cn(-c2nccs2)nn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
NOTUM Q6P988 11/20 0.38
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NOS1 P29475 1/20 0.34
KEAP1 Q14145 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL909646 0.73 KCNJ1 (0.46) LMNAGLANOTUMTDP1HSD17B10
Bromide SCHEMBL18010906 0.72 KCNJ1 (0.45) LMNAGLANOTUMTDP1HSD17B10
SCHEMBL1782525 0.71 ALDH1A1 (0.45) LMNAGLANOTUMTDP1HSD17B10
SCHEMBL4205737 0.68 LMNA (0.37) LMNAGLATDP1HSD17B10ALDH1A1
SCHEMBL1245039 0.67 LMNA (0.46) LMNAGLATDP1HSD17B10ALDH1A1
SCHEMBL28166349 0.67 TDP1 (0.34) LMNAGLATDP1HSD17B10ALDH1A1
SCHEMBL1698688 0.67 NOTUM (0.35) NOTUMHSD17B10ALDH1A1KEAP1
SCHEMBL6072194 0.65 NOTUM (0.41) LMNANOTUMHSD17B10ALDH1A1TSHR
SCHEMBL28204860 0.65 CYP2A6 (0.39) LMNAGLATDP1HSD17B10ALDH1A1
SCHEMBL24937193 0.65 GRM5 (0.51) HSD17B10ALDH1A1

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
CN-108347943-A HEPATITIS B CORE PROTEIN MODULATORS 组装生物科学股份有限公司 2018-07-31 CN disclosed
WO-2009067493-A2 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS ENVIVO PHARMACEUTICALS, INC. (US) 2009-05-28 WO disclosed