SCHEMBL3904604

SCHEMBL3904604

S=C=Nc1cc2cc3cc4ccccc4cc3cc2cc1N=C=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP3A4 P08684 3/20 0.55
ALOX15 P16050 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP1A2 P05177 2/20 0.55
ABCB11 O95342 1/20 0.55
NR3C1 P04150 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ADRA2C P18825 1/20 0.55
MAOA P21397 1/20 0.55
DRD1 P21728 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR2B P41595 1/20 0.55
CCR2 P41597 1/20 0.55
MIF P14174 2/20 0.44
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38

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
SCHEMBL3166446 0.79 ALDH1A1 (0.69) ALDH1A1HPGDHSD17B10CYP3A4ALOX15
SCHEMBL8132397 0.78 MIF (0.52) ALDH1A1HPGDHSD17B10CYP3A4ALOX15
SCHEMBL48303 0.77 CYP3A4 (0.45) ALDH1A1HPGDHSD17B10CYP3A4ALOX15
SCHEMBL11787347 0.77 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10CYP3A4ALOX15
SCHEMBL207554 0.75 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10CYP3A4ALOX15
SCHEMBL29374052 0.75 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10CYP3A4ALOX15
Benz(B)Anthracene SCHEMBL3904605 0.72 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10CYP3A4ALOX15
SCHEMBL661077 0.71 CYP3A4 (0.48) ALDH1A1HPGDHSD17B10CYP3A4ALOX15
SCHEMBL10428442 0.71 KMT2A (0.50) ALDH1A1HPGDHSD17B10CYP3A4ALOX15
SCHEMBL3225575 0.71 MIF (0.54) ALDH1A1HPGDHSD17B10CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256279-A1 Sulfur-containing composition for golf equipment, and method of using same JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-17 US claimed
US-7524918-B2 Sulfur-containing composition for golf equipment and method of using same ACUSHNET COMPANY (US) 2009-04-28 US disclosed
US-20060189787-A1 Sulfur-Containing Composition for Golf Equipment and Method of Using Same JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-08-24 US disclosed
US-7087699-B2 Sulfur-containing composition for golf equipment, and method of using same ACUSHNET COMPANY (US) 2006-08-08 US disclosed
US-20050256279-A1 Sulfur-containing composition for golf equipment, and method of using same JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-17 US disclosed