SCHEMBL30855580

SCHEMBL30855580

O=C(O)c1cnc(N2CCCCC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMO O15229 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR2 P34972 2/20 0.40
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL14658665 1.00 MAPT (0.45) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL25666898 0.98 MAPT (0.44) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL29546455 0.88 HRH3 (0.49) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL5041190 0.86 HRH3 (0.50) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL24315987 0.84 PRKCQ (0.43) RAB9AL3MBTL1HRH3HDAC3HDAC2
SCHEMBL28630760 0.83 HDAC3 (0.46) ALDH1A1SMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL29907656 0.83 KMO (0.60) MAPTALDH1A1LMNAKMOSMN1; SMN2
SCHEMBL322646 0.83 KMO (0.60) MAPTALDH1A1LMNAKMOSMN1; SMN2
SCHEMBL877503 0.83 HRH3 (0.43) KMOHRH3HCAR2
SCHEMBL10241318 0.83 HDAC3 (0.52) ALDH1A1KMOKDM4EHPGDHSD17B10

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-113121509-B JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2024-04-26 CN disclosed