SCHEMBL2929102

SCHEMBL2929102

CSC(=S)NCCc1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.67
TAAR1 Q96RJ0 4/20 0.57
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
CNR1 P21554 1/20 0.51
TP53 P04637 1/20 0.46
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 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
SCHEMBL1520731 0.82 IDO1 (0.67) IDO1TAAR1ALDH1A1MAPTCNR1
SCHEMBL2792097 0.81 IDO1 (0.70) IDO1TAAR1ALDH1A1LMNAMAPT
SCHEMBL2794397 0.80 IDO1 (1.00) IDO1TAAR1ALDH1A1LMNAMAPT
SCHEMBL2931251 0.79 IDO1 (0.63) IDO1TAAR1ALDH1A1MAPTCNR1
SCHEMBL30440127 0.79 TAAR1 (0.49) TAAR1ALDH1A1LMNAMAPTCNR1
SCHEMBL1010528 0.76 TAAR1 (0.62) TAAR1ALDH1A1LMNAMAPTCNR1
SCHEMBL5117230 0.74 CNR1 (0.59) TAAR1ALDH1A1LMNAMAPTCNR1
SCHEMBL28321492 0.74 TAAR1 (0.58) TAAR1LMNACNR1TP53KMT2A
SCHEMBL14241863 0.74 MTNR1A (0.67) TAAR1CNR1TP53OPRM1OPRD1
SCHEMBL7585545 0.73 MAPT (0.66) TAAR1ALDH1A1LMNAMAPTCNR1

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