SCHEMBL7671980

SCHEMBL7671980

CCc1ccc(-c2ccc3c(c2)NC(=O)C3)cc1.NCCN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.55
ABCB1 P08183 1/20 0.39
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
CMA1 P23946 2/20 0.38
AHR P35869 2/20 0.38
S1PR1 P21453 1/20 0.37
EIF2AK2 P19525 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM1A O60341 1/20 0.36
MAP3K11 Q16584 1/20 0.36
PGR P06401 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
SCHEMBL4463602 0.84 CRBN (0.60) CRBNBRD4CREBBPCMA1AHR
SCHEMBL7649577 0.82 CRBN (0.45) CRBNMAOAMAOBBRD4CREBBP
SCHEMBL7654316 0.77 TDP2 (0.49) CRBNABCB1MAOAMAOBBRD4
SCHEMBL4509576 0.74 AHR (0.56) CRBNMAOBBRD4CREBBPCMA1
SCHEMBL4467816 0.71 CRBN (0.55) CRBNMAOBBRD4CREBBPCMA1
SCHEMBL7672998 0.71 GAA (0.53)
SCHEMBL23143562 0.71 CRBN (1.00) CRBNABCB1CMA1AHREIF2AK2
SCHEMBL6423157 0.70 GAA (0.57)
SCHEMBL23143498 0.69 OTUD7B (0.53) CRBNBRD4CREBBPCMA1AHR
SCHEMBL29899640 0.69 OTUD7B (0.53) CRBNBRD4CREBBPCMA1AHR

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
EP-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 EP disclosed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 WO disclosed