SCHEMBL8068698

SCHEMBL8068698

O=c1oc(-c2cccs2)nc2cccc(F)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
HPGD P15428 5/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
F2 P00734 2/20 0.62
KDM4E B2RXH2 7/20 0.54
HSD17B10 Q99714 6/20 0.54
CASP1 P29466 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
ELANE P08246 2/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 4/20 0.48
CASP7 P55210 1/20 0.48
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 2/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL8068715 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL8075316 0.83 ELANE (0.62) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL914373 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL8070396 0.80 HSD17B10 (0.66) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL912739 0.79 F7 (0.58) ELANEC1R
SCHEMBL915806 0.78 HSD17B10 (0.67) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL913374 0.77 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL17554052 0.77 ELANE (0.79) ALDH1A1SMN1; SMN2MEN1KMT2AF2
SCHEMBL203587 0.77 ELANE (0.61) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL913508 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A

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
US-6150372-A IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES; BLOCKING INTRACELLULAR SIGNAL TRANSDUCTION AND ACTIVATION OF TRANSCRIPTION FACTORS; KINASE INHIBITORS; ANTIARTHRITIC, ISCHEMIC AGENTS, MULTIPLE SCLEROSIS, TRANSPLANT REJECTION SIGNAL PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-5939421-A TREATMENT OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, TRANSPLANT REJECTION; INHIBIT KINASE(S) THAT REGULATE ACTIVATION OF TRANSCRIPTION FACTORS TO PREVENT PRODUCTION OF INFLAMMATORY PROTEINS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-17 US disclosed
WO-1999001441-A1 QUINAZOLINE ANALOGS AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1999-01-14 WO disclosed