SCHEMBL15860822

SCHEMBL15860822

C1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ P2RX7 Q99572 2/20 0.39
▸ KMT2A Q03164 5/20 0.34
▸ GAA P10253 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPC1 O15118 4/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ GSK3B P49841 1/20 0.30

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
SCHEMBL19315263 0.91 ALDH1A1 (0.40) NOS2LMNASMN1; SMN2P2RX7KMT2A
SCHEMBL12655056 0.89 NPC1 (0.35) NOS2LMNASMN1; SMN2P2RX7KMT2A
SCHEMBL19534168 0.89 CYP1A2 (0.43) NOS2LMNASMN1; SMN2P2RX7GAA
SCHEMBL17463844 0.89 NOS2 (0.40) NOS2LMNASMN1; SMN2P2RX7KMT2A
SCHEMBL16716235 0.89 SMN1; SMN2 (0.36) NOS2LMNASMN1; SMN2KMT2AGAA
SCHEMBL18562484 0.88 NOS2 (0.36) NOS2LMNASMN1; SMN2P2RX7KMT2A
SCHEMBL16716228 0.86 MAOA (0.37) LMNASMN1; SMN2KMT2AGAAKDM4E
SCHEMBL19534098 0.86 ALDH1A1 (0.43) NOS2LMNASMN1; SMN2KDM4EMAPT
SCHEMBL18960590 0.85 HPGD (0.38) NOS2SMN1; SMN2KMT2AGAAKDM4E
SCHEMBL19688289 0.85 TAAR1 (0.37) NOS2SMN1; SMN2P2RX7KMT2AMAPT

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
WO-2014104665-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-07-03 — — WO disclosed
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