SCHEMBL29894052

SCHEMBL29894052

Cc1cc(=O)[nH]c2cc(C#N)ccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.59
▸ GLA P06280 3/20 0.59
▸ GAA P10253 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TNKS2 Q9H2K2 8/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ TNKS O95271 1/20 0.48
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ UPP1 Q16831 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4736477 1.00 KDM4E (0.59) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL2795205 0.81 KDM4E (0.67) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL6007662 0.78 CHUK (0.53) ALDH1A1NOS3NOS1NOS2
SCHEMBL6008260 0.78 KIF11 (0.58) ALDH1A1NOS3NOS1NOS2
SCHEMBL28300282 0.77 ALK (0.41) ALDH1A1HPGDNOS3NOS1NOS2
SCHEMBL12377872 0.76 SLC6A4 (0.48) ALDH1A1
SCHEMBL14022011 0.76 AHR (0.47) KDM4EALDH1A1HPGDNOS3NOS1
SCHEMBL10481569 0.76 KDM4E (0.49) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL5993711 0.76 KDM4E (0.59) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL12667296 0.76 KMT2A (0.44) ALDH1A1HPGDSMN1; SMN2NOS3NOS1

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-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 — — WO disclosed
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 — — EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 — — WO disclosed
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