SCHEMBL9702210

SCHEMBL9702210

BrCCCCCCn1ccc2ccccc21

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.82
CCND1 P24385 4/20 0.82
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
LMNA P02545 1/20 0.50
P2RX7 Q99572 1/20 0.50
ABCB1 P08183 1/20 0.49
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL6396944 1.00 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL2410943 0.98 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL29571527 0.98 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL2357919 0.93 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL3347874 0.85 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL30631687 0.85 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL24398975 0.82 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL5989829 0.82 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL1293253 0.82 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL725812 0.82 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA

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-5130308-A Indole derivatives as anticarcinogenic agents ASTA PHARMA (DE) 1992-07-14 US disclosed
US-4992553-A Treatment of hormone dependent tumors ASTA PHARMA AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed