SCHEMBL2922045

SCHEMBL2922045

CSC(=S)N(C)CCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 1/20 0.51
HIF1A Q16665 1/20 0.49
HSD11B1 P28845 1/20 0.49
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 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
SCHEMBL9753817 0.80 MEN1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL424285 0.76 HIF1A (0.59) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL2755865 0.76 KDM4E (0.62) MEN1KMT2AALDH1A1RAB9AHIF1A
SCHEMBL9382808 0.76 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL2796515 0.76 TAAR1 (0.52) KDM4E
SCHEMBL7974996 0.75 HIF1A (0.58) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL7974997 0.75 HIF1A (0.58) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL424284 0.75 HIF1A (0.58) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL31059181 0.75 KDM4E (0.68) ALDH1A1SMN1; SMN2HIF1AKDM4ETDP1
SCHEMBL31059180 0.75 KDM4E (0.68) ALDH1A1SMN1; SMN2HIF1AKDM4ETDP1

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
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed