SCHEMBL8617638

SCHEMBL8617638

CCC(CSc1ccncc1)NC(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 1/20 0.43
AGTR1 P30556 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 3/20 0.42
ACACB O00763 1/20 0.42
MITF O75030 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
GRM4 Q14833 1/20 0.41

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
SCHEMBL18158116 0.83 KDM4E (0.54) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL26033476 0.78 TAS1R3 (0.49) NPC1RAB9AKMT2AGAASMN1; SMN2
SCHEMBL8617518 0.75 KMT2A (0.52) NPC1RAB9AKMT2AGAASMN1; SMN2
SCHEMBL22929181 0.74 EPHX2 (0.63) KMT2ASMN1; SMN2ALDH1A1LMNAALOX15
SCHEMBL30044824 0.73 KDM4E (0.56) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8621053 0.73 SMN1; SMN2 (0.57) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL22618848 0.72 KDM4E (0.52) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL20988037 0.72 KDM4E (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8967581 0.71 SMN1; SMN2 (0.62) KMT2ASMN1; SMN2ALDH1A1ALOX15MEN1
SCHEMBL8130992 0.71 KDM4E (0.52) NPC1RAB9AKMT2AGAASMN1; SMN2

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-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed