SCHEMBL5346830

SCHEMBL5346830

Nc1ccc(-c2ccc(N)c(CC=Cc3ccccc3)c2CC=Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
IDO1 P14902 2/20 0.38
CYP3A4 P08684 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1B1 Q16678 1/20 0.36
HTR2A P28223 3/20 0.36
PAM P19021 1/20 0.34
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33

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
SCHEMBL15738942 0.78 ALDH1A1 (0.33) ALDH1A1CYP3A4TDP1
SCHEMBL5346079 0.74 CYP19A1 (0.38) CYP19A1MAOAMAOBKDM4EALDH1A1
SCHEMBL1334154 0.74 IMPDH2 (0.41) KDM4EALDH1A1CYP3A4TAAR1HSD17B10
SCHEMBL652643 0.73 CYP19A1 (0.55) CYP19A1MAOAMAOBKDM4EALDH1A1
SCHEMBL10703356 0.71 MAOB (0.42) CYP19A1MAOAMAOBALDH1A1CYP3A4
SCHEMBL454174 0.70 MAOB (0.59) CYP19A1MAOAMAOBIDO1CYP1B1
SCHEMBL14160333 0.68 CYP19A1 (0.86) CYP19A1MAOAMAOBKDM4EALDH1A1
SCHEMBL5345162 0.68 MAOB (0.42) CYP19A1MAOAMAOBKDM4EALDH1A1
SCHEMBL5337738 0.68 CYP19A1 (0.57) CYP19A1MAOAMAOBKDM4EALDH1A1
SCHEMBL5337729 0.68 CYP19A1 (0.57) CYP19A1MAOAMAOBKDM4EALDH1A1

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-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-20040185187-A1 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2004-09-23 US disclosed