SCHEMBL19789053

SCHEMBL19789053

Cc1cccc(Cc2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ DPP4 P27487 1/20 0.47
▸ MAPT P10636 5/20 0.46
▸ TP53 P04637 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ HTR6 P50406 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL20821002 0.81 L3MBTL1 (0.49) KMT2AL3MBTL1MEN1MAPTTP53
SCHEMBL25643969 0.79 MEN1 (0.52) KMT2AL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL25798633 0.79 RAB9A (0.53) KMT2AL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL29712523 0.79 RAB9A (0.66) KMT2AL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL883671 0.79 RAB9A (0.66) KMT2AL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL4546934 0.79 RAB9A (0.66) KMT2AL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL12551684 0.77 HRH3 (0.43) KMT2AL3MBTL1MEN1MAPTKDM4E
SCHEMBL12551591 0.76 L3MBTL1 (0.56) KMT2AL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL20156908 0.76 NPC1 (0.54) KMT2AL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL12551661 0.76 L3MBTL1 (0.44) KMT2AL3MBTL1RAB9ASMN1; SMN2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9985219-B2 Organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2018-05-29 — — US disclosed
EP-2725080-B1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2018-01-24 — — EP disclosed
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