SCHEMBL8102213

SCHEMBL8102213

Cc1ccc(-c2cc(=O)n3cc(C)ccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 5/20 0.56
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PAX8 Q06710 2/20 0.56
MITF O75030 1/20 0.56
KDM5A P29375 1/20 0.56
KDM5C P41229 1/20 0.56
HPGD P15428 2/20 0.51
TP53 P04637 3/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
CYP2C19 P33261 1/20 0.49
APP P05067 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 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
SCHEMBL8092460 0.91 GRIN1 (0.55) RAD51KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8099805 0.91 NPC1 (0.58) RAD51KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL1660663 0.91 NPC1 (0.56) RAD51KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL32687974 0.89 KDM4E (0.54) RAD51KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8092481 0.89 ALDH1A3 (0.52) RAD51KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL32688356 0.87 ALDH1A3 (0.47) RAD51KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8099857 0.86 NR1H4 (0.50) RAD51KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8099803 0.85 NPC1 (0.51) RAD51KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL30637493 0.83 KDM4E (0.43) RAD51KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL32688108 0.83 GAA (0.53) KDM4ESMN1; SMN2LMNACYP2C19GRIN1

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-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 US disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 US disclosed