SCHEMBL29893264

SCHEMBL29893264

CC(C)(C)c1ccc(-c2nc(Cl)cc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
CCR4 P51679 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
GCGR P47871 1/20 0.37
KIF11 P52732 2/20 0.37
METAP2 P50579 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 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
SCHEMBL29893280 0.84 KIF11 (0.43) TNKSTNKS2KDM4EKMT2AKIF11
SCHEMBL21644728 0.83 CCR4 (0.45) GPR84TNKSTNKS2KDM4EALDH1A1
SCHEMBL29118702 0.83 HPGDS (0.44) GPR84TNKSTNKS2AKT1AKT2
SCHEMBL20464228 0.81 KDM4E (0.45) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL29894104 0.78 KIF11 (0.42) GPR84TNKSTNKS2AKT1AKT2
SCHEMBL29893363 0.78 GPR84 (0.40) GPR84TNKSTNKS2AKT1AKT2
SCHEMBL24287306 0.76 CYP1A2 (0.44) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL29516239 0.76 CYP1A2 (0.44) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL19660532 0.75 KDM4E (0.69) TNKSTNKS2AKT1AKT2KDM4E
SCHEMBL1906154 0.74 KDM4E (0.51) TNKSTNKS2KDM4EALDH1A1KMT2A

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-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