SCHEMBL30855840

SCHEMBL30855840

COc1ccc(CN2C(=O)c3c(NCc4ccc(OC)cc4OC)ncc(Br)c3C2c2cc(F)ccc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.39
CYP3A4 P08684 9/20 0.39
CYP2C19 P33261 9/20 0.39
TSHR P16473 8/20 0.39
CYP2D6 P10635 8/20 0.39
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 6/20 0.39
CYP2C9 P11712 4/20 0.39
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 3/20 0.38
LMNA P02545 4/20 0.36
CLK4 Q9HAZ1 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 3/20 0.35

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
SCHEMBL25435072 0.96 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30558734 0.96 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30856034 0.89 ALDH1A1 (0.37) TSHRALDH1A1HSD17B10TDP1MAPK1
SCHEMBL30856159 0.87 NPBWR1 (0.38) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL30558733 0.86 TACR1 (0.38) TSHRALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL25434998 0.86 TACR1 (0.38) TSHRALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL30855768 0.83 MAPT (0.41) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL30855702 0.82 MAPT (0.40) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL30305525 0.80 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL26312738 0.80 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19TSHRCYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120152713-A Tricyclic aryl derivatives and compositions and methods thereof 昂胜医疗科技公司 2025-06-13 CN disclosed
EP-4561562-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026128-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed