SCHEMBL11822532

SCHEMBL11822532

NNc1nnc(Cl)cc1Nc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SCN9A Q15858 6/20 0.36
▸ SYK P43405 1/20 0.36
▸ KDR P35968 2/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ TTBK1 Q5TCY1 1/20 0.36
▸ TTBK2 Q6IQ55 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GOT1 P17174 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ PDE4A P27815 1/20 0.35

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
SCHEMBL11824349 0.87 SYK (0.43) MAPTNPC1CYP1A2CYP3A4CYP2C19
SCHEMBL11823327 0.87 ALDH1A1 (0.46) MAPTLMNACYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL11823944 0.85 ALDH1A1 (0.45) MAPTLMNACYP1A2CYP3A4CYP2C19
SCHEMBL11827111 0.83 NPC1 (0.40) MAPTLMNANPC1CYP1A2CYP3A4
SCHEMBL11823326 0.83 EPHX2 (0.40) MAPTRAB9AGAAALDH1A1MEN1
SCHEMBL11821784 0.83 MAPT (0.48) MAPTLMNANPC1RAB9AKDR
SCHEMBL11824162 0.79 MAPT (0.52) MAPTLMNANPC1CYP1A2CYP3A4
SCHEMBL11823547 0.77 LMNA (0.43) MAPTMKNK1LMNARAB9ASCN9A
SCHEMBL11820367 0.73 ALDH1A1 (0.36) MAPTSYKGAAALDH1A1GOT1
SCHEMBL11827598 0.71 ESR1 (0.36) MAPTLMNAKDRFLT1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3978057-A HYPOTENSIVE AGENTS SANDOZ, INC. (US) 1976-08-31 — — US disclosed
Send feedback