SCHEMBL10822388

SCHEMBL10822388

COc1ccc(-c2nc(N)nc(NC(=O)c3cccnc3)n2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ POLB P06746 2/20 0.52
▸ MAPK1 P28482 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CHRM4 P08173 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL10822653 0.87 MAPT (0.54) MAPTPOLBMAPK1KDM4ESMN1; SMN2
SCHEMBL10822589 0.85 RAB9A (0.52) POLBRAB9AKMT2AALDH1A1LMNA
SCHEMBL10822457 0.84 HSD17B10 (0.48) MAPTKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL10822593 0.84 NPC1 (0.48) MAPTPOLBKDM4ESMN1; SMN2MEN1
SCHEMBL10483542 0.84 ALDH1A1 (0.51) KDM4ESMN1; SMN2MEN1NPC1RAB9A
SCHEMBL9566519 0.83 AAK1 (0.55) MAPTPOLBMAPK1KDM4ESMN1; SMN2
SCHEMBL10822753 0.81 ABCC9 (0.47) KDM4ESMN1; SMN2MEN1NPC1RAB9A
SCHEMBL10822717 0.78 MAPT (0.59) MAPTPOLBMAPK1KDM4ESMN1; SMN2
SCHEMBL9566406 0.78 HDAC1 (0.53) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL9566451 0.78 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4593025-A A 2-naphthyl-4,6-diamino-s-triazine compound NIPPON SHINYAKU CO., LTD. (JP) 1986-06-03 — — US claimed
US-4554275-A Triazine derivatives NIPPON SHINYAKU CO., LTD. (JP) 1985-11-19 — — US claimed
US-4593025-A A 2-naphthyl-4,6-diamino-s-triazine compound NIPPON SHINYAKU CO., LTD. (JP) 1986-06-03 — — US disclosed
US-4554275-A Triazine derivatives NIPPON SHINYAKU CO., LTD. (JP) 1985-11-19 — — US disclosed
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