SCHEMBL31035804

SCHEMBL31035804

COc1ccc(Br)c(Cl)c1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.59
PRKDC P78527 1/20 0.47
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MAPT P10636 4/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
S1PR4 O95977 1/20 0.37
HSP90AA1 P07900 1/20 0.37
G6PD P11413 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
MCL1 Q07820 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL6829858 0.85 ERN1 (0.64) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL2415640 0.81 ERN1 (0.44) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL30826221 0.81 ERN1 (0.62) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL1888264 0.79 ERN1 (0.61) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL5552745 0.79 ERN1 (0.61) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL1358908 0.78 ERN1 (0.42) ERN1ALDH1A1TSHRKDM4EMAPT
SCHEMBL30853338 0.78 ERN1 (0.59) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL19603077 0.78 ERN1 (0.64) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL20480779 0.78 ERN1 (0.74) ERN1PRKDCALDH1A1TSHRAOX1
SCHEMBL21884803 0.78 ERN1 (0.50) ERN1PRKDCALDH1A1TSHRKDM4E

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 2 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
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed