SCHEMBL9152033

SCHEMBL9152033

CCCC1=Nc2c(nc(N)[nH]c2=O)NC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
RGS12 O14924 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CASP1 P29466 1/20 0.52
BLM P54132 1/20 0.52
GNAI1 P63096 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
DHFR P00374 5/20 0.48
BACE1 P56817 1/20 0.38
NOS1 P29475 7/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
USP2 O75604 1/20 0.33
PAH P00439 1/20 0.33

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
SCHEMBL230712 0.82 CASP7 (0.54) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL26500536 0.82 CASP7 (0.51) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL26499414 0.82 CASP7 (0.57) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL26499707 0.81 MAPT (0.54) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL7362054 0.77 CASP7 (0.58) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL9152040 0.77 DHFR (0.40) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL25433714 0.77 CASP7 (0.49) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL20374992 0.75 CASP7 (0.67) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL26499714 0.75 MAPT (0.56) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL7077068 0.74 CASP7 (0.58) CASP7HSD17B10KDM4EMEN1RGS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0631581-A4 INTERMEDIATES AND A PROCESS FOR SYNTHESIS OF TETRAHYDROPTERIDINE C6-STEREOISOMERS, INCLUDING (6S)-TETRAHYDROFOLATE AND N5-FORMYL-(6S)-TETRHYDROFOLATE. BAILEY STEVENW (US) 1995-08-02 EP disclosed
EP-0631581-A1 INTERMEDIATES AND A PROCESS FOR SYNTHESIS OF TETRAHYDROPTERIDINE C6-STEREOISOMERS, INCLUDING (6S)-TETRAHYDROFOLATE AND N5-FORMYL-(6S)-TETRHYDROFOLATE BAILEY, StevenW. (US) 1995-01-04 EP disclosed
US-5350851-A Intermediates and a process for synthesis of tetrahydropteridine C6-stereoisomers, including (6S)-tetrahydrofolate and N5-formyl-(6S)-tetrahydrofolate SOUTH ALABAMA MEDICAL SCIENCE FOUNDATION (US) 1994-09-27 US disclosed
WO-1993019069-A1 INTERMEDIATES AND A PROCESS FOR SYNTHESIS OF TETRAHYDROPTERIDINE C6-STEREOISOMERS, INCLUDING (6S)-TETRAHYDROFOLATE AND N5-FORMYL-(6S)-TETRHYDROFOLATE BAILEY STEVEN W (US) 1993-09-30 WO disclosed
US-5198547-A Process for N5-formylating tetrahydropteridines SOUTH ALABAMA MEDICAL SCIENCE FOUNDATION, USA (US) 1993-03-30 US disclosed