SCHEMBL8068942

SCHEMBL8068942

C=C1N=C(Cc2ccccc2)N=C1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
ALDH1A1 P00352 3/20 0.39
LTB4R Q15722 1/20 0.34
AOC3 Q16853 1/20 0.34
DAO P14920 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MPO P05164 1/20 0.32
TPO P07202 1/20 0.32
CYP3A4 P08684 1/20 0.32
EPX P11678 1/20 0.32
KMT2A Q03164 1/20 0.32
LTA4H P09960 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
SCHEMBL5602992 0.67 CALM1 (0.46) CALM1ALDH1A1LTB4RRAB9ASMN1; SMN2
SCHEMBL10733624 0.66 CALM1 (0.50) CALM1ALDH1A1LTB4RAOC3DAO
Diphenylmethane SCHEMBL28217722 0.64 CALM1 (0.86) CALM1ALDH1A1BCL2BCL2L1CYP3A4
Diphenylmethane SCHEMBL11290187 0.64 CALM1 (0.86) CALM1ALDH1A1BCL2BCL2L1CYP3A4
SCHEMBL10714727 0.64 CALM1 (0.42) CALM1ALDH1A1LTB4RAOC3DAO
Diphenylmethane SCHEMBL4361124 0.64 CALM1 (1.00) CALM1ALDH1A1BCL2BCL2L1CYP3A4
Diphenylmethane SCHEMBL14763944 0.64 CALM1 (1.00) CALM1ALDH1A1BCL2BCL2L1CYP3A4
Diphenylmethane SCHEMBL3792579 0.64 CALM1 (1.00) CALM1ALDH1A1BCL2BCL2L1CYP3A4
Diphenylmethane SCHEMBL28172316 0.64 CALM1 (1.00) CALM1ALDH1A1BCL2BCL2L1CYP3A4
Diphenylmethane SCHEMBL1303 0.64 CALM1 (1.00) CALM1ALDH1A1BCL2BCL2L1CYP3A4

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
JP-2000128961-A EPOXY RESIN COMPOSITION TOSOH CORP 2000-05-09 JP disclosed