SCHEMBL22452620

SCHEMBL22452620

COC(=O)c1cccnc1Nc1cc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.51
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 1/20 0.47
▸ TUBB1 Q9H4B7 1/20 0.47
▸ LMNA P02545 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ HIF1A Q16665 5/20 0.45
▸ DHODH Q02127 2/20 0.45

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
SCHEMBL22452493 0.90 DHODH (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22452621 0.89 CNR2 (0.54) CNR2LMNAHIF1AALDH1A1MEN1
SCHEMBL22453725 0.89 CNR2 (0.56) CNR2LMNAHIF1ADHODHALDH1A1
SCHEMBL22452612 0.85 MAPT (0.46) LMNAHIF1ACYP1A2CYP2C9MAPT
SCHEMBL22453427 0.84 CNR2 (0.57) CNR2HIF1ADHODHALDH1A1MEN1
SCHEMBL22452622 0.84 CNR2 (0.60) CNR2POLBHIF1AALDH1A1MEN1
SCHEMBL22453548 0.83 CNR2 (0.56) CNR2LMNAPOLBHIF1ADHODH
SCHEMBL22453117 0.83 CNR2 (0.53) CNR2HIF1ADHODHALDH1A1MEN1
SCHEMBL22452895 0.82 CNR2 (0.57) CNR2LMNAPOLBHIF1ADHODH
SCHEMBL22452654 0.81 CNR2 (0.57) CNR2HIF1AALDH1A1MEN1CYP2C9

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
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