SCHEMBL30948828

SCHEMBL30948828

[O-][n+]1cc(Br)cc2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.36
AHR P35869 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL17913534 0.78 AHR (0.35) AHRCYP2A6
SCHEMBL18571595 0.78 AHR (0.35) MEN1KMT2AMAOBAHRCYP2A6
SCHEMBL18572343 0.78
SCHEMBL1285478 0.75 ATM (0.50) MEN1KMT2AMAOBAHRCYP2A6
SCHEMBL1070189 0.74 CRHBP (0.42) MEN1KMT2AMAOBCYP1A2CYP2A6
SCHEMBL23405203 0.71
SCHEMBL2107267 0.69 CYP1A2 (0.45) MAOBAHRCYP1A2CYP2A6
SCHEMBL18571541 0.67 MAOB (0.37) MAOBAHRCYP2A6
SCHEMBL18571737 0.67 AHR (0.35) MEN1KMT2AAHRCYP2A6
SCHEMBL23404984 0.67 ALDH1A1 (0.33) MEN1KMT2AMAOBAHRCYP1A2

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-4598535-A2 INHIBITORS OF SPNS2 AND USES THEREOF New York University (US) 2025-08-13 EP disclosed
WO-2024076610-A2 INHIBITORS OF SPNS2 AND USES THEREOF NEW YORK UNIVERSITY (US) 2024-04-11 WO disclosed