SCHEMBL22452953

SCHEMBL22452953

COC(=O)c1cc(OC)ccc1Nc1ccc(N(C)c2ccc(OC(F)(F)F)cc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44
KDM4C Q9H3R0 2/20 0.41
KDM6B O15054 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 3/20 0.39

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
SCHEMBL22453458 0.93 MEN1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22453439 0.91 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22452951 0.89 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22453590 0.88 MEN1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22453406 0.88 CYP1A2 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22453401 0.86 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22453179 0.84 KDM4C (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22453050 0.82 MEN1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22453290 0.82 AKR1C3 (0.48) KDM4CLMNAMAPTSMN1; SMN2MEN1
SCHEMBL22452476 0.81 MEN1 (0.60) LMNAMAPTSMN1; SMN2MEN1POLB

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
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 WO disclosed