SCHEMBL27141380

SCHEMBL27141380

Cc1cc(-c2cccc(Br)c2)on1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 3/20 0.52
MAOB P27338 3/20 0.47
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAOA P21397 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL31607766 1.00 MEN1 (0.52) MEN1KMT2AMAPTMAOBNPC1
SCHEMBL1796838 0.81 RAB9A (0.60) MEN1KMT2AMAPTMAOBNPC1
SCHEMBL12266910 0.81 CSF1R (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1672 0.79 PTPN1 (0.56) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL354607 0.79 RAB9A (0.61) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL24799555 0.79 RPS6KB1 (0.52) MAPTRAB9AKDM4EGAACYP1A2
SCHEMBL16373542 0.79 MAPK1 (0.55) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL18618071 0.79 HSD17B1 (0.61) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL20051379 0.79 MEN1 (0.49) MEN1KMT2AMAPTMAOBNPC1
SCHEMBL28658856 0.79 NPC1 (0.72) MEN1KMT2AMAOBNPC1RAB9A

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-4577537-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2025-07-02 EP disclosed
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 WO disclosed