SCHEMBL31459979

SCHEMBL31459979

OCc1ccc2c(Br)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.44
ENPP2 Q13822 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
AKR1B1 P15121 1/20 0.36
BACE1 P56817 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
PRKCI P41743 1/20 0.34

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
SCHEMBL7221961 1.00 SLC9A1 (0.44) SLC9A1ENPP2MEN1KMT2ACA2
Alcohol SCHEMBL9715110 0.95 SLC9A1 (0.41) SLC9A1ENPP2MEN1KMT2ACA2
SCHEMBL27337442 0.85 SLC9A1 (0.42) SLC9A1MEN1KMT2ACA2CA12
SCHEMBL10391559 0.85 PLAU (0.41) ENPP2MEN1KMT2ACA2CA12
SCHEMBL4703026 0.82 SLC9A1 (0.41) SLC9A1MEN1KMT2AAKR1B1BACE1
SCHEMBL15352105 0.81 SLC9A1 (0.44) SLC9A1MEN1KMT2ACA12CA9
SCHEMBL8732557 0.81 SLC9A1 (0.41) SLC9A1MEN1KMT2AAKR1B1BACE1
SCHEMBL27537426 0.79 AKR1B1 (0.60) SLC9A1MEN1KMT2AAKR1B1TSHR
SCHEMBL3045619 0.78 MAPK1 (0.45) ENPP2CA2CA12CA3CA4
SCHEMBL7228145 0.78 PLAU (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 CN disclosed