SCHEMBL20853560

SCHEMBL20853560

CCCCCCOC1=C/C(=N\c2ccc(N)cc2)C(N)=CC1=N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 4/20 0.37
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CHUK O15111 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ AKT1 P31749 1/20 0.34

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
SCHEMBL20853561 1.00 MAPT (0.38) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL15037506 1.00 MAPT (0.38) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL16369057 0.99 NPC1 (0.36) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL15018539 0.99 NPC1 (0.36) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL15018540 0.99 NPC1 (0.36) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL20853539 0.96 TSHR (0.36) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL15037477 0.96 TSHR (0.36) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL20853540 0.96 TSHR (0.36) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL15018422 0.92 MEN1 (0.36) MAPTRAB9AALDH1A1TSHRLMNA
SCHEMBL16369060 0.92 MEN1 (0.36) MAPTRAB9AALDH1A1TSHRLMNA

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
EP-2791250-B1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF OREAL (FR) 2019-04-03 — — EP claimed
EP-2791250-B1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF OREAL (FR) 2019-04-03 — — EP disclosed
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