SCHEMBL31311151

SCHEMBL31311151

Nc1nc(-c2ccc(F)c(Cl)c2)c(-c2ccccc2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MAPT P10636 4/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C19 P33261 2/20 0.62
MAPK1 P28482 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 2/20 0.60
KDM4E B2RXH2 3/20 0.60
CYP3A4 P08684 2/20 0.60
GAA P10253 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
FBP1 P09467 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.51

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
SCHEMBL25695223 1.00 ALDH1A1 (0.62) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL30464966 0.82 MPL (0.66) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL10120712 0.82 ALDH1A1 (0.80) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL25280365 0.82 MPL (0.66) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL31311278 0.81 MPL (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31311372 0.79 ADORA2A (0.50) ALDH1A1MAPTCYP1A2MAPK1MEN1
SCHEMBL31311233 0.78 MPL (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31311397 0.78 MPL (0.66) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL234287 0.78 ALDH1A1 (1.00) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL599968 0.76 ALDH1A1 (1.00) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19

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
EP-4731206-A2 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES Veralox Therapeutics Inc. (US) 2026-04-29 EP disclosed
WO-2024264032-A2 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES VERALOX THERAPEUTICS INC. (US) 2024-12-26 WO disclosed