SCHEMBL8649366

SCHEMBL8649366

[c]1ccnc(Cc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.41
TAAR1 Q96RJ0 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
ADRA2A P08913 1/20 0.34
TSHR P16473 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GAA P10253 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL460058 0.77 CALM1 (0.55) CALM1TAAR1L3MBTL1MEN1KMT2A
SCHEMBL8654460 0.74 CALM1 (0.52) CALM1TAAR1L3MBTL1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27509627 0.74 CALM1 (0.52) CALM1TAAR1L3MBTL1MEN1KMT2A
SCHEMBL5797590 0.73
SCHEMBL3587955 0.72 CALM1 (0.44) CALM1TAAR1L3MBTL1HRH3HTR2C
SCHEMBL5254394 0.70 FABP1 (0.49) MEN1KMT2A
SCHEMBL5596934 0.70 LMNA (0.43) L3MBTL1LMNACYP1A2TSHRGAA
SCHEMBL8652020 0.69 CALM1 (0.41) CALM1TAAR1L3MBTL1MEN1KMT2A
SCHEMBL11106719 0.69 HSD17B10 (0.65) MEN1KMT2ACYP1A2TSHRCYP3A4
SCHEMBL1067652 0.69

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
EP-0866367-A2 Radiation sensitive composition JSR Corporation (JP) 1998-09-23 EP disclosed