SCHEMBL9645252

SCHEMBL9645252

O=C1NC=CN(c2nc3ccccc3s2)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPSR1 Q6W5P4 3/20 0.48
NPC1 O15118 3/20 0.48
KAT2A Q92830 1/20 0.46
KAT2B Q92831 1/20 0.46
CRBN Q96SW2 5/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC11A2 P49281 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL10514927 0.72 RAB9A (0.46) RAB9ANPSR1NPC1KAT2AKAT2B
SCHEMBL9644558 0.68 ALOX5 (0.38) RAB9ANPC1CRBNKMT2AMEN1
SCHEMBL9645242 0.68 CRBN (0.52) RAB9ANPSR1NPC1CRBNPOLB
SCHEMBL28207007 0.67 RAB9A (0.56) RAB9ANPSR1NPC1KAT2AKAT2B
SCHEMBL7745143 0.67 CRBN (0.52) RAB9ANPSR1NPC1KAT2AKAT2B
SCHEMBL9184204 0.65 NPC1 (0.54) RAB9ANPSR1NPC1KAT2AKAT2B
SCHEMBL9465324 0.64 RAB9A (0.53) RAB9ANPSR1NPC1KAT2AKAT2B
SCHEMBL8310458 0.64 KDM4E (0.48) RAB9ANPSR1NPC1KAT2AKAT2B
SCHEMBL21047628 0.64 RAB9A (0.65) RAB9ANPSR1NPC1CRBNKMT2A
SCHEMBL21480878 0.64 NPC1 (0.52) RAB9ANPSR1NPC1KAT2AKAT2B

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-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed