SCHEMBL14527010

SCHEMBL14527010

c1cn(-c2ccc(N3CCCCC3)cc2)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 9/20 0.56
▸ CHKA P35790 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL10447781 0.82 NOTUM (0.78) NOTUMCYP19A1KEAP1
SCHEMBL6887590 0.74 ALDH1A1 (0.71) CHKAALDH1A1KDM4EMEN1NPC1
SCHEMBL21792324 0.73 NOTUM (1.00) NOTUMKEAP1CYP1A2CYP2C19
SCHEMBL21792282 0.73 NOTUM (1.00) NOTUMKEAP1CYP1A2CYP2C19
SCHEMBL482167 0.72 NOTUM (0.64) NOTUMCYP19A1KEAP1
SCHEMBL21777006 0.72 NOTUM (1.00) NOTUMKMT2ACYP19A1KEAP1
SCHEMBL11102521 0.72 NOTUM (1.00) NOTUMCYP19A1KEAP1
SCHEMBL76794 0.72 NOTUM (0.64) NOTUMMAPTCYP19A1KEAP1LMNA
SCHEMBL8117312 0.72 NOTUM (0.64) NOTUMCYP19A1KEAP1
SCHEMBL1186707 0.72 NOTUM (0.64) NOTUMMAPTCYP19A1KEAP1

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
US-7202254-B2 Antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-10 — — US disclosed
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