SCHEMBL9499893

SCHEMBL9499893

NN(C=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
LMNA P02545 3/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
ALOX15 P16050 2/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
TDP1 Q9NUW8 2/20 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
Pyridine SCHEMBL29217380 0.85 PKM (0.35) HSD17B10ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL11022319 0.78 ALDH1A1 (0.44) HSD17B10LMNAALDH1A1KDM4EALOX15
SCHEMBL3813443 0.76 ALDH1A1 (0.44) LMNACYP2A6ALDH1A1KDM4EHPGD
SCHEMBL6872138 0.76 APP (0.39) LMNAALDH1A1KDM4ECA1CA2
SCHEMBL3096128 0.75 HSD17B10 (0.46) HSD17B10LMNACYP2A6ALDH1A1KDM4E
SCHEMBL2455066 0.75 ALDH1A1 (0.39) LMNACYP2A6ALDH1A1KDM4EALOX15
SCHEMBL8038732 0.73 HSD17B10 (0.44) HSD17B10LMNACYP2A6ALDH1A1KDM4E
SCHEMBL22567251 0.73 MAOB (0.45) HSD17B10LMNACYP2A6ALDH1A1KDM4E
SCHEMBL28808546 0.73 TAAR1 (0.41) HSD17B10ALDH1A1CA1CA2CA12
SCHEMBL9502559 0.71 CHRM5 (0.42) LMNACYP2A6ALDH1A1KDM4EALOX15

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
CN-104211733-B Benzene ethylene diazene six molybdic acid TBuA and the preparation method of derivative thereof and application 清华大学 2016-08-24 CN disclosed
EP-0536345-A1 PHOTOGRAPHIC HIGH CONTRAST SILVER HALIDE MATERIALS KODAK LIMITED (GB) 1993-04-14 EP disclosed
WO-1992015042-A1 PHOTOGRAPHIC HIGH CONTRAST SILVER HALIDE MATERIALS KODAK LIMITED (GB) 1992-09-03 WO disclosed