SCHEMBL9680203

SCHEMBL9680203

COC(=O)c1nc2nc(C)cc(Cl)n2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GLA P06280 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL10952409 0.93 DPP4 (0.44) DPP4ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL16759976 0.84 ALDH1A1 (0.63) ALDH1A1KMT2ASMN1; SMN2MEN1NPSR1
SCHEMBL9678829 0.83 ALDH1A1 (0.49) DPP4ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9677397 0.83 DPP4 (0.43) DPP4ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL10617037 0.82 ALDH1A1 (0.49) DPP4ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9140749 0.82 ALDH1A1 (0.48) DPP4ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL10619197 0.81 ALDH1A1 (0.53) DPP4ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9142908 0.80 DPP4 (0.43) DPP4ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9679506 0.78 POLB (0.49) DPP4ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9677360 0.77 KDM4E (0.60) ALDH1A1KMT2AHPGDKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150507-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR PRODUCING THE SAME AND COMPOSITIONS CONTAINING THEM MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
US-5064953-A INTERMEDIATES CEPHALOSPORIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-11-12 US disclosed
US-4888332-A ANTIBIOTICS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-12-19 US disclosed