SCHEMBL22453458

SCHEMBL22453458

COc1ccc(Nc2ccc(N(C)c3ccc(OC(F)(F)F)cc3)cc2C)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM6B O15054 1/20 0.45
DHODH Q02127 2/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
KCNK2 O95069 2/20 0.42
AKR1C3 P42330 7/20 0.41
AKR1C2 P52895 7/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.41
KCNK10 P57789 1/20 0.40
ADORA1 P30542 2/20 0.39
TUBB4A P04350 1/20 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
SCHEMBL22452953 0.93 TUBB4A (0.44) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453290 0.90 AKR1C3 (0.48) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453050 0.90 MEN1 (0.46) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452476 0.88 MEN1 (0.60) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453330 0.87 KDM4C (0.47) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452450 0.85 MEN1 (0.46) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453439 0.83 TUBB4A (0.46) LMNAMAPTDHODHSMN1; SMN2AKR1C3
SCHEMBL22452452 0.83 DHODH (0.47) KDM4CKDM6BDHODHKCNK2IGF2BP2
SCHEMBL22452951 0.82 TUBB4A (0.44) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453590 0.81 MEN1 (0.49) MEN1LMNAKMT2APOLBMAPT

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