SCHEMBL30977563

SCHEMBL30977563

Nc1cc(F)c(C(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL19151612 0.80 ADRB2 (0.38) ALDH1A1ADRB2CYP3A4HSD17B10ADRA2A
SCHEMBL18925630 0.80 EIF4A3 (0.36) ALDH1A1CA1CA2
SCHEMBL1099578 0.80 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD17B10CA12CA1
SCHEMBL8281098 0.77 ADRB2 (0.35) ALDH1A1ADRB2CYP3A4HSD17B10ADRA2A
SCHEMBL17785693 0.77 ALDH1A1 (0.33) ALDH1A1CA12CA1CA2CA4
SCHEMBL8243764 0.77 GAA (0.35) ALDH1A1
SCHEMBL20149231 0.75 PDE2A (0.33) ALDH1A1ADRB2CYP3A4HSD17B10ADRA2A
SCHEMBL24355980 0.74 PTK2 (0.57) ALDH1A1CYP3A4HSD17B10CA12CA1
SCHEMBL29561976 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL11695 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10CA12CA1CA2

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
EP-4619402-A1 GPR17 MODULATORS AND USES THEREOF Myrobalan Therapeutics, Inc. (US) 2025-09-24 EP disclosed
CN-119613396-A Pyrrolo-heterocyclic-3-sulfonamide compounds and their use in the preparation of inhibitors of the GPR17 receptor 迈巴制药(南京)有限公司 2025-03-14 CN disclosed
WO-2024104462-A1 GPR17 MODULATORS AND USES THEREOF MYROBALAN THERAPEUTICS NANJING CO. LTD (CN) 2024-05-23 WO disclosed