SCHEMBL11714751

SCHEMBL11714751

Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.60
NPC1 O15118 8/20 0.60
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MMP2 P08253 4/20 0.57
MMP9 P14780 4/20 0.57
MMP8 P22894 4/20 0.57
MMP13 P45452 4/20 0.57
MCL1 Q07820 1/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.45
CETP P11597 1/20 0.44
CEPT1 Q9Y6K0 1/20 0.44
HSPD1 P10809 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL7058514 0.92 RAB9A (0.66) RAB9ANPC1MAPTSMN1; SMN2MMP2
SCHEMBL11715691 0.84 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2MMP2
SCHEMBL2245362 0.79 RAB9A (0.64) RAB9ANPC1MAPTSMN1; SMN2MMP2
SCHEMBL2245219 0.78 MMP2 (0.85) RAB9ANPC1MAPTSMN1; SMN2MMP2
SCHEMBL11717472 0.78 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2MMP2
SCHEMBL7908000 0.77 RAB9A (0.84) RAB9ANPC1MAPTSMN1; SMN2MMP2
SCHEMBL11768156 0.77 RAB9A (0.62) RAB9ANPC1MAPTSMN1; SMN2MMP2
SCHEMBL2060733 0.77 ALDH1A1 (0.61) RAB9ANPC1MAPTSMN1; SMN2MMP2
SCHEMBL11718804 0.77 RAB9A (0.58) RAB9ANPC1MAPTSMN1; SMN2MMP2
SCHEMBL11718002 0.77 CTSB (0.49) RAB9ANPC1MAPTSMN1; SMN2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4022781-A ANTHELMINTIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-05-10 US disclosed
US-3985755-A ANTHELMINTIC AGENTS AND DISINFECTANTS E. R. SQUIBB & SONS, INC. (US) 1976-10-12 US disclosed
US-3983130-A ANTHELMINTICS, DISINFECTANTS E. R. SQUIBB & SONS, INC. (US) 1976-09-28 US disclosed
US-3969351-A ANTHELMINTIC E. R. SQUIBB & SONS, INC. (US) 1976-07-13 US disclosed