SCHEMBL7115457

SCHEMBL7115457

Nc1cc(Cl)c(F)c(F)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
CD44 P16070 1/20 0.39
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
NPC1 O15118 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TP53 P04637 1/20 0.33
CA12 O43570 2/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL7121793 0.82 GAA (0.46) GAACD44CYP3A4ALDH1A1TSHR
SCHEMBL8526012 0.81 GAA (0.50) GAACD44CYP3A4ALDH1A1TSHR
SCHEMBL7170671 0.80 ALDH1A1 (0.47) CYP3A4ALDH1A1TSHRNPC1TP53
SCHEMBL28158185 0.79 CA1 (0.42) GAACD44CYP3A4ALDH1A1CA1
SCHEMBL25245756 0.75 GAA (0.43) GAACD44CYP3A4ALDH1A1TSHR
SCHEMBL21225080 0.75 CA1 (0.39) GAACYP3A4ALDH1A1CA1CA2
SCHEMBL25531603 0.75 CD44 (0.41) GAACD44CYP3A4ALDH1A1TSHR
SCHEMBL29713610 0.74 GAA (0.48) GAACD44CYP3A4ALDH1A1TSHR
SCHEMBL796071 0.74 GAA (0.48) GAACD44CYP3A4ALDH1A1TSHR
SCHEMBL899953 0.72 ALDH1A1 (0.36) ALDH1A1CA1CA2CA12CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025227032-A1 METHODS FOR DEGRADATION OF CYCLIN K AND INHIBITION OF CYCLIN DEPENDENT KINASES REMIX THERAPEUTICS INC. (US) 2025-10-30 WO disclosed
EP-0970100-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-12 EP disclosed
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US disclosed