SCHEMBL7314937

SCHEMBL7314937

[CH2]CCOc1ccc(C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
L3MBTL1 Q9Y468 6/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPT P10636 2/20 0.51
HPGD P15428 4/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
S1PR4 O95977 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HTR1A P08908 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
GLA P06280 1/20 0.44
MEN1 O00255 2/20 0.43
ATM Q13315 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
SCHEMBL891407 0.87 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL8778545 0.87 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL9011867 0.85 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL5672183 0.84 TSHR (0.59) SMN1; SMN2L3MBTL1KMT2ARAB9AHPGD
SCHEMBL293026 0.83 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL9011659 0.83 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL9011602 0.83 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL8640378 0.82 HTR1A (0.63) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL11790 0.82 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL6480994 0.81 KDM4E (0.39) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A

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-4918074-A CALCIUM ANTAGONISTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-04-17 US disclosed
EP-0217142-A2 A polyazaheterocyclic compound Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-04-08 EP disclosed