SCHEMBL6824372

SCHEMBL6824372

CC(C)CNc1nc(Cl)ccc1C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.46
HPGD P15428 6/20 0.41
USP2 O75604 1/20 0.41
LRRK2 Q5S007 1/20 0.38
TRPA1 O75762 1/20 0.38
POLB P06746 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CHRNA7 P36544 1/20 0.37
CXCR3 P49682 1/20 0.36
SCN9A Q15858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL23183169 0.70 MAPT (0.44) TRPA1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL23022332 0.66 HPGD (0.55) HPGDUSP2POLBTSHRLMNA
SCHEMBL14940799 0.65 MAPT (0.62) POLBCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL877703 0.64 ALDH1A1 (0.51) HPGDPOLBCYP1A2CYP2C9MEN1
SCHEMBL2527055 0.64 CNR1 (0.50) HPGDPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL15636352 0.64 MAPT (0.45) TSHRLMNASMN1; SMN2MEN1KMT2A
SCHEMBL720894 0.64 GABRP (0.42) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19651818 0.63 KMT2A (0.56) HPGDUSP2POLBTSHRLMNA
SCHEMBL5697696 0.63 LMNA (0.52) HPGDPOLBTSHRLMNAKMT2A
Fluoride SCHEMBL3339659 0.62 GABRP (0.41) SMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074278-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-09-02 WO disclosed