SCHEMBL8525338

SCHEMBL8525338

O=C1CCCNc2ccc(-c3csc(-c4ccncc4)n3)cc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.45
KDM4E B2RXH2 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 2/20 0.45
AR P10275 2/20 0.45
NPC1 O15118 2/20 0.45
CDK5 Q00535 5/20 0.44
CDK5R1 Q15078 5/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
EIF4E P06730 1/20 0.41
CDC7 O00311 1/20 0.40

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
Hydrochloric Acid SCHEMBL8480857 0.77 KDM4E (0.50) CYP19A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL8525368 0.74 SMN1; SMN2 (0.60) CYP19A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL8525270 0.74 SMN1; SMN2 (0.70) CYP19A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL8480061 0.72 PDE3B (0.68) CYP19A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL16090231 0.71 KDR (0.57) SMN1; SMN2RAB9ALMNANPC1KMT2A
SCHEMBL5902233 0.71 MAPT (0.66) KDM4EARCDK5CDK5R1KMT2A
SCHEMBL8524006 0.69 RAB9A (0.44) CYP19A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL16090213 0.69 TLK2 (0.54)
SCHEMBL16090235 0.69 TLK2 (0.54) SMN1; SMN2RAB9ALMNANPC1CDK5
SCHEMBL8484612 0.69 RAB9A (0.47) CYP19A1KDM4ESMN1; SMN2RAB9ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed