SCHEMBL8528960

SCHEMBL8528960

CC(C)c1ncc(C(=O)c2cnc(C(C)C)nc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.36
APLNR P35414 1/20 0.35
VNN1 O95497 6/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.32
PTGS1 P23219 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
PTGS2 P35354 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL13119220 0.84 KCNJ1 (0.36) HCAR3APLNRKDM4EALDH1A1HSD17B10
SCHEMBL198067 0.84 ALDH1A1 (0.52) HCAR3KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL1435924 0.82 NAPRT (0.36) HCAR3APLNRKDM4EALDH1A1HSD17B10
SCHEMBL24065698 0.82 HCAR3 (0.34) HCAR3APLNRKDM4EALDH1A1HSD17B10
SCHEMBL14865432 0.82 NNMT (0.45) VNN1KDM4ESMN1; SMN2LMNA
SCHEMBL30445356 0.79 BAZ2B (0.45) HTTSMN1; SMN2HPGD
SCHEMBL22387737 0.79 HDAC6 (0.57)
SCHEMBL1435071 0.79 MAPK1 (0.52) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL26421531 0.79 PDE9A (0.41) HCAR3APLNRKDM4EALDH1A1HSD17B10
SCHEMBL24925816 0.77 KDM4E (0.42) HCAR3KDM4EALDH1A1HCAR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763640-A OXIMINOMETHYLPHENYL DERIVATIVES ZENECA LIMITED (GB) 1998-06-09 US disclosed
EP-0370629-B2 Fungicides ZENECA LTD (GB) 1998-01-07 EP disclosed
US-5631253-A FUNGICIDES, INSECTICIDES AND MITICIDES USING METHYLOXIME PHENYLPROPENOIC ACID ZENECA LIMITED (GB) 1997-05-20 US disclosed
US-5432197-A Insecticidal, miticidal ZENECA LIMITED (GB) 1995-07-11 US disclosed
US-5371084-A Insecticides and miticides ZENECA LIMITED (GB) 1994-12-06 US disclosed
EP-0506149-A2 Fungicides ZENECA LIMITED (GB) 1992-09-30 EP disclosed
US-5055471-A FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-08 US disclosed
EP-0370629-A1 Fungicides ZENECA LIMITED (GB) 1990-05-30 EP disclosed