SCHEMBL31363069

SCHEMBL31363069

Cn1ncc(C(=O)O)c1Oc1cccc(Br)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
MET P08581 1/20 0.33
AXL P30530 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL31363111 0.85 LMNA (0.42) HTTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL31363023 0.81 HTT (0.42) BTKHTTLMNAHTR2AHTR2C
SCHEMBL15675785 0.74 BRD4 (0.43) HTTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL31363005 0.73 BTK (0.33) BTKHTTLMNAHTR2AHTR2C
SCHEMBL8307379 0.68 HSD11B1 (0.45) HTTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL19918850 0.68 MAPT (0.44) HTTLMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL13772312 0.67 KDM4E (0.37) ALDH1A1SMN1; SMN2KMT2AKDM4ENPC1
Hydrochloric Acid SCHEMBL29002501 0.67 HSD11B1 (0.44) HTTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL29570698 0.66 PRNP (0.50) ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD
SCHEMBL146386 0.66 PRNP (0.50) ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD

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
WO-2025033011-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE 日本曹達株式会社 2025-02-13 WO disclosed