SCHEMBL10822854

SCHEMBL10822854

COc1ccc2cc(-c3nc(N)nc(NC(=O)c4cccnc4)n3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ SCD O00767 1/20 0.52
▸ MAPT P10636 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CYP11B2 P19099 4/20 0.49
▸ CYP11B1 P15538 3/20 0.49
▸ CYP17A1 P05093 2/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ AAK1 Q2M2I8 1/20 0.48
▸ BLM P54132 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL10483348 0.88 SMN1; SMN2 (0.59) SMN1; SMN2NPC1MEN1KMT2ALMNA
SCHEMBL9566519 0.88 AAK1 (0.55) TSHRSMN1; SMN2POLBMAPTNPC1
SCHEMBL10822516 0.85 RAB9A (0.58) SMN1; SMN2MAPTNPC1MEN1KMT2A
SCHEMBL9566608 0.81 NPC1 (0.58) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL10822653 0.80 MAPT (0.54) TSHRSMN1; SMN2POLBSCDMAPT
SCHEMBL8413034 0.80 HDAC1 (0.56) TSHRSMN1; SMN2POLBNPC1MEN1
SCHEMBL9566506 0.79 HDAC1 (0.60) SMN1; SMN2POLBNPC1CYP11B2CYP11B1
SCHEMBL9566457 0.79 SMN1; SMN2 (0.55) TSHRSMN1; SMN2MAPTNPC1MEN1
SCHEMBL9566631 0.79 MEN1 (0.56) TSHRSMN1; SMN2POLBNPC1MEN1
SCHEMBL11591085 0.78 HDAC1 (0.60) SMN1; SMN2NPC1MEN1KMT2AHTT

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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