SCHEMBL6536967

SCHEMBL6536967

c1ccc2cc3c(ccc4ncsc43)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 3/20 0.38
HIF1A Q16665 2/20 0.38
CYP1B1 Q16678 1/20 0.38
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
RIPK1 Q13546 1/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 4/20 0.34
ACHE P22303 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
NQO2 P16083 1/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 3/20 0.33
RPS6KB2 Q9UBS0 1/20 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
SCHEMBL29966574 1.00 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1PI4KA
SCHEMBL29871387 0.83 CYP3A4 (0.47) ALDH1A1HSD17B10HIF1ACYP1B1CYP3A4
SCHEMBL2852558 0.83 CYP3A4 (0.47) ALDH1A1HSD17B10HIF1ACYP1B1CYP3A4
SCHEMBL28846419 0.79 HPRT1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CYP3A4
SCHEMBL4154752 0.79 HPRT1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CYP3A4
SCHEMBL9191805 0.78 RIPK2 (0.45) PI4KAPI4KBMAPTDYRK1AESR1
SCHEMBL7101151 0.77 PI4KA (0.42) ALDH1A1HSD17B10PI4KAPI4K2BPI4K2A
SCHEMBL9196002 0.77 BACE1 (0.45) PI4KAPI4KBCYP3A4DYRK1AESR1
SCHEMBL29966580 0.77 BACE1 (0.45) PI4KAPI4KBCYP3A4DYRK1AESR1
SCHEMBL28874631 0.75 CYP1A2 (0.39) ALDH1A1HPGDKDM4ECYP1A2NPC1

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
US-6692905-B2 COLOR PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JP) 2004-02-17 US disclosed
US-20020012892-A1 Methine compound-containing silver halide photographic emulsion and photographic material using the same FUJIFILM CORPORATION (JP) 2002-01-31 US disclosed