SCHEMBL30853338

SCHEMBL30853338

COc1ccc(Br)c(F)c1C=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.59
PRKDC P78527 1/20 0.47
ALDH1A1 P00352 6/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.38
PTPRF P10586 1/20 0.37
AOX1 Q06278 1/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TUBB1 Q9H4B7 1/20 0.35
FDPS P14324 1/20 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
SCHEMBL276550 1.00 ERN1 (0.59) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL565717 0.85 ERN1 (0.64) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL1478225 0.84 ERN1 (0.47) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL30826221 0.81 ERN1 (0.62) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL911855 0.81 ERN1 (0.44) ERN1ALDH1A1TSHRPTPRFAOX1
SCHEMBL5552745 0.79 ERN1 (0.61) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL1888264 0.79 ERN1 (0.61) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL19792605 0.79 ERN1 (0.43) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL28057376 0.79 ERN1 (0.43) ERN1ALDH1A1TSHRPTPRFAOX1
SCHEMBL16797103 0.79 ERN1 (0.40) ERN1PRKDCMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
CN-119497713-A USP1 inhibitors 上海齐鲁制药研究中心有限公司 2025-02-21 CN disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed
CN-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 CN disclosed