SCHEMBL31207321

SCHEMBL31207321

COc1cccc(-c2ccc(Nc3ccc(CN(C)C)cc3)c(OC)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.51
HTR7 P34969 1/20 0.45
MAOB P27338 2/20 0.44
AKR1C3 P42330 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
DHODH Q02127 1/20 0.43
HSD17B2 P37059 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42

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
SCHEMBL23630639 1.00 ACP1 (0.51) ACP1HTR7MAOBAKR1C3TAAR1
SCHEMBL29922075 0.87 MAOB (0.54) ACP1MAOBAKR1C3TAAR1HSD17B2
SCHEMBL23630643 0.87 MAOB (0.54) ACP1MAOBAKR1C3TAAR1HSD17B2
SCHEMBL21586160 0.82 ACP1 (0.47) ACP1HTR7MAOBAKR1C3TAAR1
SCHEMBL31207325 0.82 ACP1 (0.47) ACP1HTR7MAOBAKR1C3TAAR1
SCHEMBL21586173 0.80 HRAS (0.58) ACP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31207327 0.80 ACP1 (0.45) ACP1HTR7AKR1C3TUBB4ATUBB
SCHEMBL21586170 0.80 ACP1 (0.45) ACP1HTR7AKR1C3TUBB4ATUBB
SCHEMBL31207319 0.80 HRAS (0.58) ACP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21586177 0.75 ACP1 (0.47) ACP1DHODHTUBB4ATUBBTUBA3C

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
EP-3802492-B1 COMPOUNDS USEFUL IN THE TREATMENT OF DISORDERS ASSOCIATED WITH MUTANT RAS THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) 2024-11-06 EP claimed