SCHEMBL16716228

SCHEMBL16716228

Cc1ccc(-c2ccc(C3N=C(c4ccc(-c5ccccc5)cc4)C=C(c4ccc(-c5ccccc5)cc4)N3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ NPC1 O15118 5/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ ACHE P22303 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CACNA1D Q01668 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 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
SCHEMBL12655056 0.97 NPC1 (0.35) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL16716235 0.97 SMN1; SMN2 (0.36) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL18562484 0.87 NOS2 (0.36) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL15860822 0.86 NOS2 (0.41) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL19534098 0.86 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2TDP1HPGD
SCHEMBL24752556 0.84 CKS1B (0.35) NPC1RAB9ASMN1; SMN2TDP1HPGD
SCHEMBL17463844 0.82 NOS2 (0.40) NPC1RAB9ASMN1; SMN2TDP1HPGD
SCHEMBL19650573 0.82 MKNK1 (0.42) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL18960590 0.82 HPGD (0.38) MAOBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL19310436 0.81 MEN1 (0.43) MAOAMAOBSMN1; SMN2TDP1HPGD

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-2305772-B1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT EMITTING ELEMENT USING SAID COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-05-20 — — EP disclosed
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