SCHEMBL7905414

SCHEMBL7905414

OC[C@H]1O[C@@H](Nc2ccncc2)[C@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
CA1 P00915 6/20 0.58
CA2 P00918 6/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
GRK6 P43250 2/20 0.43
SLC5A2 P31639 1/20 0.43
ADK P55263 1/20 0.42

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
SCHEMBL7152297 0.83 NPC1 (0.74) TSHRCA1CA2NPC1RAB9A
SCHEMBL7151149 0.83 NPC1 (0.74) TSHRCA1CA2NPC1RAB9A
SCHEMBL6045363 0.83 NPC1 (0.74) TSHRCA1CA2NPC1RAB9A
SCHEMBL9953680 0.83 NPC1 (0.74) TSHRCA1CA2NPC1RAB9A
SCHEMBL2573474 0.82 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL2573470 0.82 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL7152391 0.82 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL14478652 0.82 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL14353200 0.82 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL7150020 0.82 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A

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-6201116-B1 FLUORESCENT COMPOUND WITH MIMIMAL PHOTOBLEACHING, REDUCED TOXICITY, RAPID LOADING INTO CYTOPLASM, UNIFORM DISTRIBUTION, CHEMICAL STABILITY; DRUG SCREENING OF MODULATORS OF TRANSPORT PROTEINS (CYSTIC FIBROSIS); MONITORING GENE THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-03-13 US disclosed