SCHEMBL17483813

SCHEMBL17483813

C=C/C=C(/C=C(/C)N)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NOS1 P29475 3/20 0.36
▸ NOS3 P29474 2/20 0.36
▸ METTL3 Q86U44 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PTBP1 P26599 1/20 0.32
▸ NOS2 P35228 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL8004502 0.84 CYP19A1 (0.38) NOS1NOS3MAPTMAOALMNA
SCHEMBL14851433 0.82 AKT1 (0.35) NOS1NOS3METTL3MAPTCES2
SCHEMBL7964851 0.76 CNR1 (0.55) MAPT
SCHEMBL7971214 0.76 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLMNA
SCHEMBL7968563 0.75 RAB9A (0.55) SMN1; SMN2MAPTLMNA
SCHEMBL14411040 0.72 ALDH1A1 (0.30) SMN1; SMN2
SCHEMBL7975277 0.72 RAB9A (0.55) SMN1; SMN2MAPTCYP1A2
SCHEMBL14411343 0.71 MAOA (0.34) SMN1; SMN2METTL3MAOAMAOB
SCHEMBL2271311 0.71 MAPT (0.61) SMN1; SMN2NOS1NOS3MAPTCES2
SCHEMBL2271314 0.71 MAPT (0.61) SMN1; SMN2NOS1NOS3MAPTCES2

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
EP-2980816-A1 METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE FUJIFILM Corporation (JP) 2016-02-03 — — EP disclosed
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