SCHEMBL11499136

SCHEMBL11499136

C=CCn1nc2cc(C)c(C)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
JAK2 O60674 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL4427147 0.74 KDM4E (0.47) KDM4ENPSR1ALDH1A1SMN1; SMN2HPGD
SCHEMBL205108 0.73 HPGD (0.38) KDM4ENPSR1JAK2ALDH1A1SMN1; SMN2
SCHEMBL9942538 0.73 CNR1 (0.36) KDM4ENPSR1JAK2ALDH1A1SMN1; SMN2
SCHEMBL13510576 0.73 ADORA2A (0.39) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL23597744 0.71 KMT2A (0.46) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL19911453 0.68 GAA (0.48) NPSR1ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL15243045 0.66 CSNK2A2 (0.35) JAK2CHRM2CHRM3
SCHEMBL8640814 0.65 KMT2A (0.43) KDM4ENPSR1ALDH1A1SMN1; SMN2HPGD
SCHEMBL8205559 0.64 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL10712331 0.62 ALDH1A1 (0.70) KDM4EALDH1A1SMN1; SMN2RAB9ALMNA

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
US-4240822-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1980-12-23 US disclosed