SCHEMBL6209721

SCHEMBL6209721

NC(=O)NCC(C(=O)O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.66
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2C19 P33261 1/20 0.49
EPHX1 P07099 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
APAF1 O14727 1/20 0.42
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
POLB P06746 1/20 0.41
USP9X Q93008 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
C3AR1 Q16581 1/20 0.41
PTGFR P43088 3/20 0.41
EGLN2 Q96KS0 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
SCHEMBL27924275 0.86 BCAT2 (0.49) BCAT2MEN1KMT2ACYP2C19EPHX1
SCHEMBL17234594 0.86 BCAT2 (0.49) BCAT2MEN1KMT2ACYP2C19EPHX1
SCHEMBL28290228 0.85 CYP2C19 (0.52) BCAT2MEN1KMT2ACYP2C19EPHX1
SCHEMBL4333359 0.85 CYP2C19 (0.52) BCAT2MEN1KMT2ACYP2C19EPHX1
SCHEMBL3903374 0.82 BCAT2 (0.72) BCAT2MEN1KMT2AEPHX1SMN1; SMN2
SCHEMBL640978 0.81 MTNR1A (0.58) BCAT2CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL5435795 0.81 MTNR1A (0.58) BCAT2CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL11529398 0.81 AOC3 (0.57) BCAT2CYP2C19EPHX1SMN1; SMN2APAF1
SCHEMBL7509646 0.80 CYP2C19 (0.47) BCAT2CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL29182112 0.80 NPC1 (0.67) KMT2ACYP2C19SMN1; SMN2NPC1RAB9A

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-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP claimed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP claimed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO claimed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP disclosed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed