SCHEMBL28056374

SCHEMBL28056374

O=C(O)c1ccnnc1-c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.44
KDM5B Q9UGL1 1/20 0.43
ALPL P05186 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DHODH Q02127 3/20 0.40
NOTUM Q6P988 1/20 0.40
CNR1 P21554 1/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29574354 0.79 KDM4E (0.65) ALDH1A1KMT2ASMN1; SMN2RAB9ATSHR
SCHEMBL6206542 0.79 KDM4E (0.65) ALDH1A1KMT2ASMN1; SMN2RAB9ATSHR
SCHEMBL28056343 0.77 NR4A2 (0.45) ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL25307207 0.77 HTT (0.46) ALDH1A1KMT2AKDM5BSMN1; SMN2NPC1
SCHEMBL6545903 0.76 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL34471968 0.75 ALPL (0.42) ALDH1A1KMT2AALPLSMN1; SMN2NPC1
SCHEMBL8946514 0.73 KMT2A (0.54) ALDH1A1KMT2AHPGDKDM4EDHODH
SCHEMBL5266212 0.73 DPP4 (0.44) ALDH1A1SMN1; SMN2NPC1TP53HPGD
SCHEMBL8946636 0.72 ALDH1A1 (0.54) ALDH1A1KMT2AALPLSMN1; SMN2NPC1
SCHEMBL1623759 0.71 SMN1; SMN2 (0.53) ALDH1A1KMT2AKDM5BSMN1; SMN2TP53

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-106715432-B New Imidazopyridazines and application thereof 和记黄埔医药(上海)有限公司 2019-03-26 CN disclosed
CN-106715432-A Novel imidazopyridazine compounds and their use 和记黄埔医药(上海)有限公司 2017-05-24 CN disclosed
CN-105503877-A Imidazopyridazine compound and application thereof HUTCHISON MEDIPHARMA LTD 2016-04-20 CN disclosed