SCHEMBL11546359

SCHEMBL11546359

COc1cnn(-c2ccc(C=O)c(Cl)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 5/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPBWR1 P48145 3/20 0.37
MCHR1 Q99705 2/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL11226469 0.84 TYR (0.48) ALDH1A1NPC1NPBWR1MCHR1RAB9A
SCHEMBL11546993 0.77 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL11545639 0.77 MEN1 (0.44) KMT2AMEN1ALDH1A1HPGDCYP1A2
SCHEMBL11545893 0.76 KMT2A (0.37) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL11548596 0.70 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1HPGDTDP1
SCHEMBL11549493 0.69 BTK (0.31) MAPT
SCHEMBL2017241 0.68 NPBWR1 (0.37) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL16797793 0.68 P2RX7 (0.49) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL1236491 0.67 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL31573430 0.66 ERN1 (0.42) KMT2AMEN1ALDH1A1TDP1MAPT

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-4138552-A 4-(V-triazolyl)-styryl optical brighteners CIBA-GEIGY CORPORATION (US) 1979-02-06 US disclosed