SCHEMBL30856041

SCHEMBL30856041

COc1ccc(CNC(=O)c2cncc(Br)c2)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.61
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
MAPT P10636 2/20 0.53
TP53 P04637 2/20 0.53
ROCK2 O75116 1/20 0.52
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.51
PKM P14618 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL23985288 0.81 ALDH1A1 (0.57) DGAT2ALDH1A1TSHRNPSR1TAS1R3
SCHEMBL30558743 0.81 ALDH1A1 (0.57) DGAT2ALDH1A1TSHRNPSR1TAS1R3
SCHEMBL4886080 0.80 ROCK2 (0.63) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL8759043 0.79 HPGD (0.70) ALDH1A1TSHRNPSR1SMN1; SMN2TAS1R3
SCHEMBL29937072 0.78 ALDH1A1 (0.51) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL13450633 0.77 ALDH1A1 (0.60) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL4916970 0.76 HPGDS (0.65) ALDH1A1TSHRNPSR1SMN1; SMN2TAS1R3
SCHEMBL17571783 0.76 DGAT2 (1.00) DGAT2
Boric Acid SCHEMBL6313250 0.76 TAS1R3 (0.65) ALDH1A1TSHRNPSR1SMN1; SMN2TAS1R3
SCHEMBL13545204 0.75 HPGD (0.65) ALDH1A1TSHRNPSR1TAS1R3TAS1R1

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