SCHEMBL27288809

SCHEMBL27288809

Fc1ccccc1-c1ccnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.58
GRM4 Q14833 4/20 0.52
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.49
PTK2B Q14289 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ESR1 P03372 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK14 Q16539 3/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NCF1 P14598 1/20 0.47
NFATC1 O95644 1/20 0.46
DYRK1A Q13627 1/20 0.46
BMP4 P12644 1/20 0.46

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
SCHEMBL4067917 0.91 KDM4E (0.57) TGFBR1GRM4KDM4ENPC1MAPT
SCHEMBL17177705 0.87 TGFBR1 (0.58) TGFBR1GRM4KDM4ERAB9ANPC1
SCHEMBL1227713 0.85 CYP1A2 (0.60) TGFBR1GRM4KDM4ERAB9ANPC1
SCHEMBL29699887 0.85 CYP1A2 (0.60) TGFBR1GRM4KDM4ERAB9ANPC1
SCHEMBL27917128 0.85 CYP1A2 (0.60) TGFBR1GRM4KDM4ERAB9ANPC1
SCHEMBL30487734 0.83 CYP1A2 (0.58) TGFBR1GRM4KDM4ERAB9ANPC1
SCHEMBL7918743 0.82 MAPT (0.56) TGFBR1GRM4KDM4ERAB9ANPC1
SCHEMBL27566240 0.82 TGFBR1 (0.53) TGFBR1GRM4KDM4ERAB9ANPC1
SCHEMBL12382123 0.81 BMP4 (0.48) TGFBR1GRM4KDM4ERAB9ANPC1
SCHEMBL27491176 0.80 CYP1A2 (0.49) TGFBR1GRM4KDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1028754-C process for preparing quinoline derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-06-07 CN disclosed
CN-1039416-A Quinoline and preparation thereof and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-02-07 CN disclosed