SCHEMBL29167520

SCHEMBL29167520

C=C(C)c1cc(C(=O)OC)cc2c1CC(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CCNB2 O95067 2/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ CCNB1 P14635 2/20 0.44
▸ MDH2 P40926 2/20 0.44
▸ CCNB3 Q8WWL7 2/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CRBN Q96SW2 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 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
SCHEMBL6352617 0.87 ALDH1A1 (0.47) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL28459022 0.80 LMNA (0.48) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL22938423 0.79 LMNA (0.47) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL22696301 0.76 LMNA (0.44) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL12431680 0.73 CCNB2 (0.41) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL2309393 0.73 CDK1 (0.41) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL12807357 0.71 KDM4E (0.57) LMNAALDH1A1HTTALOX15HSD17B10
SCHEMBL22491528 0.70 CRBN (0.49) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL29734620 0.70 CRBN (0.49) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL1359221 0.70 CRBN (0.59) LMNAALDH1A1CCNB2CDK1CCNB1

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
CN-117624014-A 3- (indolylamino) methylene indoline derivative and preparation method and application thereof 徐诺药业(南京)有限公司 2024-03-01 — — CN disclosed
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