SCHEMBL22696301

SCHEMBL22696301

COC(=O)c1cc2c(c(C3CC3)c1)CC(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CCNB2 O95067 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ MDH2 P40926 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CCNB3 Q8WWL7 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ OPRL1 P41146 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ CRBN Q96SW2 1/20 0.38
▸ HTT P42858 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 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
SCHEMBL30785022 0.83 HTT (0.39) ALDH1A1CCNB2CDK1CCNB1GSK3B
SCHEMBL28459022 0.80 LMNA (0.48) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL6352617 0.79 ALDH1A1 (0.47) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL22938423 0.79 LMNA (0.47) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL29167520 0.76 LMNA (0.44) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL21200136 0.73 MAPK14 (0.42) ALDH1A1HSD17B10SMN1; SMN2CA12CA1
SCHEMBL29866826 0.73 MAPK14 (0.42) ALDH1A1HSD17B10SMN1; SMN2CA12CA1
SCHEMBL29734620 0.70 CRBN (0.49) LMNAALDH1A1CCNB2CDK1CCNB1
SCHEMBL22491528 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025093059-A1 3-(AMINO)METHYLENE INDOLINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF 徐诺药业(南京)有限公司 2025-05-08 — — WO disclosed
CN-117624179-A 3- (amino) methylene indoline derivative and preparation method and application thereof 徐诺药业(南京)有限公司 2024-03-01 — — CN disclosed
WO-2020234333-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2020-11-26 — — WO disclosed
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