SCHEMBL31057923

SCHEMBL31057923

Cc1ccnc(Oc2ncccn2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ CCR1 P32246 2/20 0.33
▸ CCR5 P51681 2/20 0.33
▸ CCR8 P51685 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NOS3 P29474 3/20 0.31
▸ NOS2 P35228 3/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31

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
SCHEMBL21609744 1.00 SMN1; SMN2 (0.37) SMN1; SMN2HPGDMEN1KMT2AAPAF1
SCHEMBL20704159 0.80 MEN1 (0.44) SMN1; SMN2HPGDMEN1KMT2ARAB9A
SCHEMBL1844481 0.76 HPGD (0.41) SMN1; SMN2HPGDALDH1A1CCR1CCR5
SCHEMBL27756237 0.74 CYP1A2 (0.42) SMN1; SMN2MEN1KMT2AAPAF1RAB9A
SCHEMBL14853027 0.73 HPGD (0.67) SMN1; SMN2HPGDMEN1KMT2ARAB9A
SCHEMBL3562229 0.72 LRRK2 (0.46) SMN1; SMN2HPGDMEN1KMT2AKDM4E
SCHEMBL30296304 0.70 TRPV4 (0.39) SMN1; SMN2HPGDCCR1CCR5CCR8
SCHEMBL27031413 0.70 TRPV4 (0.39) SMN1; SMN2HPGDCCR1CCR5CCR8
SCHEMBL21609746 0.70 POLB (0.33) SMN1; SMN2MEN1KMT2AAPAF1RAB9A
SCHEMBL20553520 0.70 CYP1A2 (0.44) SMN1; SMN2MEN1KMT2ARAB9AKDM4E

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-112469712-B Substituted 2-heteroaryloxy pyridines and salts thereof, and their use as herbicides 拜耳公司 2024-08-13 — — CN disclosed
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