SCHEMBL379852

SCHEMBL379852

Brc1csc2ccnc(NCc3cccs3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.54
PKM P14618 1/20 0.48
EGFR P00533 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 5/20 0.45
CYP1A2 P05177 8/20 0.43
CYP3A4 P08684 8/20 0.43
CYP2D6 P10635 8/20 0.43
ALDH1A1 P00352 7/20 0.43
CYP2C19 P33261 7/20 0.43
MAPK1 P28482 4/20 0.43
CLK4 Q9HAZ1 3/20 0.43
CYP2C9 P11712 3/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 3/20 0.42
USP2 O75604 2/20 0.42

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
SCHEMBL380011 0.82 UTS2R (0.53) UTS2RPKMMEN1KMT2ASMN1; SMN2
SCHEMBL379904 0.81 UTS2R (0.49) UTS2REGFRSMN1; SMN2RAB9ATSHR
SCHEMBL379685 0.80 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2RAB9ATSHR
SCHEMBL380531 0.79 UTS2R (0.47) UTS2RPKMMEN1KMT2ASMN1; SMN2
SCHEMBL379503 0.78 TNF (0.50) PKMEGFRSMN1; SMN2RAB9ATSHR
SCHEMBL379470 0.75 IGF1R (0.42) MEN1KMT2ASMN1; SMN2RAB9ACYP1A2
SCHEMBL379599 0.74 ALDH1A1 (0.63) UTS2REGFRMEN1KMT2ASMN1; SMN2
SCHEMBL379480 0.74 CYP1A2 (0.63) UTS2RPKMEGFRMEN1KMT2A
SCHEMBL379638 0.72 TUBB4A (0.44) EGFRMEN1KMT2ACLK4DYRK1A
SCHEMBL9375292 0.70 UTS2R (0.61) UTS2RPKMEGFRMEN1KMT2A

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
EP-1968982-B1 THIENO (3,2-C) PYRIDINE COMPOUNDS XENTION LTD (GB) 2012-01-25 EP disclosed