SCHEMBL22453261

SCHEMBL22453261

Cc1cc(N(C)c2ccc(OCC(F)(F)F)cc2)ccc1Nc1cccc(C(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.46
MRGPRX4 Q96LA9 1/20 0.35
KDM6B O15054 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
F10 P00742 1/20 0.34
SCN9A Q15858 1/20 0.34
P2RX7 Q99572 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL22453582 0.90 KDM4C (0.41) KDM4CKDM4ELMNANPC1RAB9A
SCHEMBL22453259 0.88 KDM4C (0.44) KDM4CKDM6BKDM4ELMNASCN9A
SCHEMBL22453579 0.80 CYP1A2 (0.42) KDM4CKDM6BKDM4ELMNANPC1
SCHEMBL22453330 0.78 KDM4C (0.47) KDM4CKDM4ELMNASMN1; SMN2
SCHEMBL22452558 0.76 KDM4C (0.42) KDM4CKDM6BKDM4ELMNASMN1; SMN2
SCHEMBL22453406 0.74 CYP1A2 (0.44) KDM4CKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL22453260 0.71 LTC4S (0.44) KDM4ELMNASCN9A
SCHEMBL22452446 0.70 KDM4C (0.46) KDM4CKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL22453288 0.69 MEN1 (0.57) KDM4CLMNASMN1; SMN2
SCHEMBL22452931 0.68 S100B (0.46) KDM4CKDM4ELMNASCN9ANPC1

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