SCHEMBL10822653

SCHEMBL10822653

COc1cc2ccccc2cc1-c1nc(N)nc(NC(=O)c2cccnc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ TSHR P16473 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ LMNA P02545 1/20 0.52
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ SCD O00767 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL10822717 0.92 MAPT (0.59) MAPTSMN1; SMN2TSHRPOLBKDM4E
SCHEMBL10822388 0.87 MAPT (0.53) MAPTSMN1; SMN2TSHRPOLBKDM4E
SCHEMBL10483367 0.85 NPC1 (0.51) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL10483366 0.85 NPC1 (0.51) MAPTSMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL10483431 0.85 NPC1 (0.51) MAPTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL9566519 0.84 AAK1 (0.55) MAPTSMN1; SMN2TSHRPOLBKDM4E
SCHEMBL10483348 0.81 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL10483542 0.81 ALDH1A1 (0.51) SMN1; SMN2KDM4EALDH1A1LMNANPC1
SCHEMBL10822854 0.80 TSHR (0.54) MAPTSMN1; SMN2TSHRPOLBKDM4E
SCHEMBL9566451 0.79 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1LMNANPC1

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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