SCHEMBL9601322

SCHEMBL9601322

O=C(OCCn1cnc2c[n+]([O-])c3ccccc3c21)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 1/20 0.40
MAPK10 P53779 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
STAT6 P42226 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9602123 0.81 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTCYP2C9CYP2C19
SCHEMBL4148302 0.80 TBXAS1 (0.45) SMN1; SMN2CYP2C19KMT2ANPSR1TDP1
SCHEMBL9602275 0.79 DPP4 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2ATDP1
SCHEMBL9602609 0.77 HTT (0.51) HTTALDH1A1KMT2AACHE
SCHEMBL10727327 0.76 TLR7 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL1335102 0.76 CSNK2A2 (0.37) SMN1; SMN2HTTCYP2C9CYP2C19KMT2A
SCHEMBL75393 0.75 EGLN3 (0.61) SMN1; SMN2HTTALDH1A1GAATDP1
SCHEMBL6031231 0.74 NPSR1 (0.40) SMN1; SMN2HPGDHTTCYP2C9CYP2C19
SCHEMBL10588936 0.74 ALDH1A1 (0.41) HPGDALDH1A1MEN1GAAKMT2A
SCHEMBL9602816 0.74 SMN1; SMN2 (0.43) SMN1; SMN2HPGDHTTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310950-B1 Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes RIKER LABORATORIES, INC. (US) 1993-01-13 EP disclosed
EP-0145340-B1 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1990-01-24 EP disclosed
EP-0322861-A2 Silver halide photographic material Fuji Photo Film Co., Ltd. (JP) 1989-07-05 EP disclosed
EP-0310950-A1 Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes RIKER LABORATORIES, INC. (US) 1989-04-12 EP disclosed
US-4698348-A 1H-imidazo[4,5-c]quinolines and their use as bronchodilating agents RIKER LABORATORIES, INC. (US) 1987-10-06 US disclosed
US-4689338-A 1H-Imidazo[4,5-c]quinolin-4-amines and antiviral use RIKER LABORATORIES, INC. (US) 1987-08-25 US disclosed
EP-0145340-A2 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1985-06-19 EP disclosed