SCHEMBL9703488

SCHEMBL9703488

NCCCCCCn1ccc2ccccc21

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.82
CCND1 P24385 4/20 0.82
LMNA P02545 1/20 0.54
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
P2RX7 Q99572 1/20 0.50
ABCB1 P08183 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HTR6 P50406 1/20 0.47

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
SCHEMBL5989829 1.00 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL4869090 0.98 CDK4 (0.81) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL135070 0.93 CDK4 (0.78) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL28616424 0.86 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL1120445 0.85 CDK4 (0.76) CDK4CCND1LMNAHTR2AHTR2C
Hydrochloric Acid SCHEMBL6258190 0.83 CDK4 (0.73) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL24398975 0.82 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL9702210 0.82 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL6396944 0.82 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL725812 0.82 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C

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 4 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
EP-0262498-B1 DIAMINE PLATINUM (II) COMPLEX COMPOUNDS WITH A HYDROXY-SUBSTITUTED 2-PHENYL-INDOLE RING ASTA Pharma Aktiengesellschaft (DE) 1990-05-30 EP disclosed
EP-0262498-A2 Diamine platinum (II) complex compounds with a hydroxy-substituted 2-phenyl-indole ring ASTA Pharma Aktiengesellschaft (DE) 1988-04-06 EP disclosed