SCHEMBL19330656

SCHEMBL19330656

Nc1c(C(=O)O)cc(Br)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
GLA P06280 1/20 0.41
KEAP1 Q14145 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
LCK P06239 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
Chlorobenzene SCHEMBL27647115 0.87 MAPT (0.43) KDM4EGLAKEAP1CA12CA1
SCHEMBL31639150 0.86 CA12 (0.42) KDM4EGLAKEAP1CA12CA1
SCHEMBL27186573 0.83 CA12 (0.40) KDM4EGLAKEAP1CA12CA1
SCHEMBL20541572 0.83 KDM4E (0.46) KDM4EGLAKEAP1CA12CA1
SCHEMBL1342951 0.81 AKR1C4 (0.42) KDM4EGLAKEAP1CA12CA1
SCHEMBL29781380 0.81 AKR1C4 (0.42) KDM4EGLAKEAP1CA12CA1
SCHEMBL5115259 0.79 KDM4E (0.44) KDM4EKEAP1CA1CA2CA4
SCHEMBL29810948 0.78 KDM4E (0.40) KDM4EGLAKEAP1CA12CA1
SCHEMBL17030866 0.78 KDM4E (0.40) KDM4EGLAKEAP1CA12CA1
SCHEMBL19330633 0.78 SOS1 (0.50) KDM4EGLACA1CA2CA5A

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
WO-2025090514-A1 COVALENT SARM1 INHIBITORS NURA BIO, INC. (US) 2025-05-01 WO disclosed
WO-2017155816-A1 QUINAZOLINE COMPOUNDS USEFUL AS M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2017-09-14 WO disclosed