SCHEMBL9152040

SCHEMBL9152040

CCCC1=Nc2c([nH]c(N)nc2=O)NC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.40
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
RGS12 O14924 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
BLM P54132 1/20 0.30
CASP7 P55210 1/20 0.30
GNAI1 P63096 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL851106 0.82 KDM4E (0.32) DHFRKDM4EMEN1RGS12LMNA
SCHEMBL7362056 0.77 KDM4E (0.33) KDM4EMEN1RGS12LMNACYP3A4
SCHEMBL9152033 0.77 CASP7 (0.52) DHFRBACE1KDM4EMEN1RGS12
SCHEMBL20224025 0.75 KDM4E (0.41) KDM4EMEN1RGS12LMNACYP3A4
SCHEMBL7077081 0.74 KDM4E (0.33) KDM4EMEN1RGS12LMNACYP3A4
SCHEMBL31673801 0.69 HSD17B10 (0.39) KDM4EMEN1RGS12LMNACYP3A4
SCHEMBL12559341 0.69 HSD17B10 (0.39) KDM4EMEN1RGS12LMNACYP3A4
SCHEMBL13721723 0.69 KDM4E (0.38) KDM4EMEN1RGS12LMNACYP3A4
Sepiapterin SCHEMBL258399 0.69 CASP7 (0.65) KDM4EMEN1RGS12LMNACYP3A4
Sepiapterin SCHEMBL27081912 0.69 CASP7 (0.65) KDM4EMEN1RGS12LMNACYP3A4

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