SCHEMBL9044947

SCHEMBL9044947

Cn1ccnc1SCCCl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 3/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 2/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALPL P05186 1/20 0.42
ALPG P10696 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 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
Hydrochloric Acid SCHEMBL7459670 0.98 KDM4E (0.49) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL9217653 0.91 KDM4E (0.49) KDM4EKMT2ANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7448480 0.89 KDM4E (0.48) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL10736432 0.84
SCHEMBL24866430 0.82 KDM4E (0.51) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL15219972 0.82 KDM4E (0.51) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL7455902 0.81 KDM4E (0.50) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL9046684 0.81 KDM4E (0.50) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL72244 0.81 KDM4E (0.50) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL422525 0.79 KDM4E (0.49) KDM4EKMT2ANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728752-A1 Triazole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-28 EP disclosed
US-5405861-A Fungicides TAKEDA CHEMICAL INDUSTRIES, CO., LTD. (JP) 1995-04-11 US disclosed
US-RE34201-E Analgesics ANAQUEST, INC. (US) 1993-03-23 US disclosed
US-5053411-A Analgesics ANAQUEST, INC. (US) 1991-10-01 US disclosed
EP-0421210-A2 Triazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP disclosed
EP-0396282-A2 N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds BOC, INC. (US) 1990-11-07 EP disclosed