SCHEMBL8953979

SCHEMBL8953979

Nc1ccc(-c2ccc(C3=CCC(N)(c4ccccc4)C=C3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 4/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP19A1 P11511 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL714828 0.98 CYP3A4 (0.39) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL8638713 0.97 CYP3A4 (0.38) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL5852516 0.95 HSD17B10 (0.46) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL31326887 0.94 CYP3A4 (0.38) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL25383769 0.92 HSD17B10 (0.39) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
Sulfuric Acid SCHEMBL8640324 0.90 TDP1 (0.33) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL28396976 0.89 PNMT (0.34) MAOAMAOBPNMT
SCHEMBL30657561 0.84 CYP3A4 (0.34) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL29089928 0.82 ESR1 (0.39) HSD17B10ALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL2782971 0.82 ALDH1A1 (0.38) HSD17B10CYP3A4TDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023042595-A1 POLYIMIDE AND POLYIMIDE PRECURSOR ENEOS株式会社 2023-03-23 WO disclosed
US-5536584-A SEMICONDUCTOR INTEGRATED CIRCUIT, TRANSISTOR AND A THIN FILM MULTILEVEL WIRING BOARD USES SURFACE PROTECTIVE COATING OF POLYIMIDE HITACHI, LTD. (JP) 1996-07-16 US disclosed
US-5272247-A Polyimide precursor, cured product thereof, and processes for producing them HITACHI, LTD. (JP) 1993-12-21 US disclosed