SCHEMBL31039331

SCHEMBL31039331

O=Cc1cc(Br)cc(N2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 1/20 0.56
TRIM24 O15164 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
ALDH1A3 P47895 5/20 0.44
MAPT P10636 3/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS2 P35354 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
SCHEMBL16738369 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4ETRIM24TRIM33
SCHEMBL3695359 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4ETRIM24TRIM33
SCHEMBL3690173 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4ETRIM24TRIM33
SCHEMBL15093908 0.82 ALDH3A1 (0.47) ALDH1A1SMN1; SMN2KDM4ETRIM24TRIM33
SCHEMBL26448103 0.82 CHRNB2 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTCHRNB2
SCHEMBL9830191 0.80 CHRNB2 (0.46) ALDH1A1SMN1; SMN2KDM4ETRIM24TRIM33
SCHEMBL20556701 0.79 TRIM24 (0.55) ALDH1A1SMN1; SMN2KDM4ETRIM24TRIM33
SCHEMBL12580775 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4ETRIM24TRIM33
SCHEMBL30770827 0.74 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ETRIM24TRIM33
SCHEMBL1418736 0.74 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ETRIM24TRIM33

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-4655296-A1 CBL-B INHIBITORS Aurigene Oncology Limited (IN) 2025-12-03 EP disclosed
WO-2024156938-A1 CBL-B INHIBITORS ORION CORPORATION (FI) 2024-08-02 WO disclosed