SCHEMBL6594447

SCHEMBL6594447

Cc1cccc(NC(=S)NC#N)c1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.56
CYP1A2 P05177 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2D6 P10635 1/20 0.56
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
HPGD P15428 3/20 0.52
ALOX12 P18054 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 3/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 3/20 0.49
NPC1 O15118 1/20 0.49
CYP2C9 P11712 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL8983422 0.98 MEN1 (0.58) MEN1KMT2AMAPTCYP1A2NPSR1
SCHEMBL30557461 0.82 MEN1 (0.77) MEN1KMT2AMAPTCYP1A2NPSR1
SCHEMBL9453941 0.82 MEN1 (0.77) MEN1KMT2AMAPTCYP1A2NPSR1
SCHEMBL6977163 0.80 KMT2A (0.55) MEN1KMT2AMAPTCYP1A2NPSR1
SCHEMBL4685324 0.79 IDO1 (0.63) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL11345729 0.79 HSD17B10 (0.59) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8983449 0.79 IDO1 (0.63) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL11674611 0.78 KMT2A (0.75) MEN1KMT2AMAPTCYP1A2NPSR1
SCHEMBL8987945 0.78 KMT2A (0.56) MEN1KMT2AMAPTCYP1A2NPSR1
SCHEMBL11839367 0.78 KMT2A (0.65) MEN1KMT2AMAPTCYP1A2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156803-A4 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-03-17 EP disclosed
EP-1156803-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-28 EP disclosed
US-6297233-B1 Lactam inhibitors of FXa and method BRISTOL-MYERS SQUIBB COMPANY 2001-10-02 US disclosed
WO-2000047207-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-17 WO disclosed