SCHEMBL11622889

SCHEMBL11622889

CCC(O)(c1ccccc1)c1ccc(SC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
BCL2 P10415 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PTGS2 P35354 1/20 0.36
AKR1C3 P42330 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
SCHEMBL936317 0.86 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2SIGMAR1CYP1A2
SCHEMBL246639 0.84 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2SIGMAR1CYP1A2
SCHEMBL28539349 0.82 CHRM2 (0.50) MEN1KMT2ASMN1; SMN2SIGMAR1CYP1A2
SCHEMBL10598204 0.79 ESR1 (0.57) KIF11MEN1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL11623208 0.79 CYP2C9 (0.48) KIF11MEN1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL12441784 0.79 MEN1 (0.57) KIF11MEN1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL11764401 0.79 SMN1; SMN2 (0.44) KIF11MEN1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL11623432 0.77 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2SIGMAR1CYP1A2
SCHEMBL11625992 0.77 BCL2 (0.58) KIF11MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL1129210 0.77 SMN1; SMN2 (0.43) KIF11MEN1KMT2ASMN1; SMN2SIGMAR1

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-4094908-A Alpha-substituted benzhydrol derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1978-06-13 US disclosed
US-4039589-A LIVER MICROSOMAL ENZYMES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-08-02 US disclosed