SCHEMBL12374862

SCHEMBL12374862

Cc1cccc(/C=C/C(=O)c2c(C)c3ccccc3n(C)c2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 6/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NLRP3 Q96P20 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
XBP1 P17861 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL12374652 0.89 PADI4 (0.60) PADI4MEN1KMT2ANPC1RAB9A
SCHEMBL12374700 0.83 MAOA (0.50) PADI4MEN1KMT2ANPC1RAB9A
SCHEMBL13818140 0.82 MAOA (0.43) PADI4MEN1KMT2ANPC1RAB9A
SCHEMBL14514849 0.81 MAPT (0.50) PADI4MEN1KMT2ANPC1RAB9A
SCHEMBL12374832 0.78 MAOB (0.50) PADI4MEN1KMT2ANPC1RAB9A
SCHEMBL15233123 0.77 MAOA (0.49) MEN1KMT2ANPC1RAB9AMAOA
SCHEMBL12374654 0.76 LMNA (0.49) PADI4MEN1KMT2ANPC1RAB9A
SCHEMBL14514847 0.74 MAPT (0.54) PADI4MEN1KMT2ANPC1RAB9A
SCHEMBL29701 0.74 ALDH1A1 (0.59) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL14288822 0.72 ALDH1A1 (0.71) MEN1KMT2ANPC1RAB9ANLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed