SCHEMBL8626744

SCHEMBL8626744

NC(=O)C(=NO)c1csc(N)n1.[NaH]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GABRA5 P31644 1/20 0.39
GABRB2 P47870 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ABCC4 O15439 1/20 0.38
CNR1 P21554 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
LMNA P02545 1/20 0.34

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
SCHEMBL6278540 0.98 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL5907164 0.98 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL9615934 0.84 MAPT (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL1405818 0.84 MAPT (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL1405817 0.84 MAPT (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL4003166 0.83 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL1387512 0.83 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL27730076 0.83 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL8057318 0.83 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL27807523 0.83 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed