SCHEMBL29604792

SCHEMBL29604792

O=C1c2ccccc2C(=O)N1c1ncc(F)s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
AR P10275 7/20 0.46
SCN2A Q99250 1/20 0.45
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL2371380 1.00 CRHBP (0.52) CRHBPCRHR2ARSCN2AALDH1A1
SCHEMBL16636571 0.79 ALDH1A1 (0.62) CRHBPCRHR2ARSCN2AALDH1A1
SCHEMBL16637237 0.76 CRHBP (0.49) CRHBPCRHR2ARSCN2AALDH1A1
SCHEMBL24007294 0.76 CRHBP (0.49) CRHBPCRHR2ARSCN2AALDH1A1
SCHEMBL29604734 0.70 AR (0.47) CRHBPCRHR2ARSCN2AALDH1A1
SCHEMBL30486192 0.68 HSD17B10 (0.73) ARSCN2AALDH1A1HTTHSD17B10
SCHEMBL29204149 0.68 HSD17B10 (0.73) ARSCN2AALDH1A1HTTHSD17B10
SCHEMBL30905068 0.67 KDM4E (0.56) CRHBPCRHR2ARSCN2AALDH1A1
SCHEMBL14011323 0.67 SCN2A (0.62) CRHBPCRHR2ARSCN2AALDH1A1
SCHEMBL24195812 0.66 HTT (0.49) ARSCN2AALDH1A1HTTMEN1

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-4244224-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2023-09-20 EP disclosed
WO-2022104348-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2022-05-19 WO disclosed