SCHEMBL28077971

SCHEMBL28077971

c1cnc(Oc2cc[nH]n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
APAF1 O14727 1/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.35
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HAO1 Q9UJM8 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
SCHEMBL1817017 0.79 KDM4E (0.43) KDM4EALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL31374417 0.78 KDM4E (0.42) KDM4EALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL30297928 0.72
Formaldehyde SCHEMBL28375942 0.72
SCHEMBL207642 0.71 HAO1 (0.53) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9384543 0.70 KDM4E (0.50) MEN1KMT2AAPAF1KDM4EALDH1A1
SCHEMBL14027249 0.70 MEN1 (0.50) MEN1KMT2AAPAF1KDM4EALDH1A1
SCHEMBL8932281 0.69 GOT1 (0.31)
SCHEMBL44749 0.69 MEN1 (0.52) MEN1KMT2AAPAF1KDM4EALDH1A1
SCHEMBL28313179 0.67 HAO1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A

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
CN-116457349-A Herbicidal N-heteroaryl pyrazoles 先正达农作物保护股份公司 2023-07-18 CN disclosed
CN-105777717-A Pyrazolyl pyrimidinyl ether compound and use thereof 沈阳中化农药化工研发有限公司 2016-07-20 CN disclosed
CN-105777717-A Pyrazolyl pyrimidinyl ether compound and use thereof 沈阳中化农药化工研发有限公司 2016-07-20 CN disclosed