SCHEMBL11546243

SCHEMBL11546243

Cc1c(CC#N)oc2ccc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.57
MCL1 Q07820 1/20 0.48
RAB9A P51151 2/20 0.43
AHR P35869 6/20 0.41
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.38
GPR35 Q9HC97 1/20 0.38
AKR1B1 P15121 1/20 0.37
NQO1 P15559 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
CSF1R P07333 1/20 0.36
PIM1 P11309 1/20 0.36
FLT1 P17948 1/20 0.36

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
SCHEMBL11542763 0.79 KDM4E (0.47) RAB9AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4451342 0.79 MCL1 (0.55) KCNH2MCL1RAB9AAHRALDH1A1
SCHEMBL4452101 0.79 MCL1 (0.51) KCNH2MCL1RAB9AAHRALDH1A1
SCHEMBL11551444 0.78 PIK3CA (0.42) KCNH2DYRK1A
SCHEMBL11542250 0.77 KCNH2 (0.53) KCNH2RAB9AALDH1A1MAPTHPGD
SCHEMBL11545978 0.74 MCL1 (0.61) KCNH2MCL1RAB9AALDH1A1HPGD
SCHEMBL3079524 0.74 HSD17B3 (0.57) KCNH2MCL1ALDH1A1MAPTHPGD
SCHEMBL14409919 0.72 MCL1 (0.59) KCNH2MCL1AHRALDH1A1LMNA
SCHEMBL11442225 0.71 AHR (0.51) KCNH2AHRCYP2A6ALDH1A1NQO1
SCHEMBL25824628 0.69 MCL1 (0.56) KCNH2MCL1AHRALDH1A1LMNA

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-4172145-A ANALGESICS, ANTIPYRETICS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1979-10-23 US disclosed
US-4126625-A ANTIPHLOGISTIC, ANALGESIC KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1978-11-21 US disclosed