SCHEMBL6287119

SCHEMBL6287119

O=C(CCCCc1ccc([N+](=O)[O-])cc1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPT P10636 4/20 0.62
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
FKBP1A P62942 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KCNJ1 P48048 2/20 0.52
LMNA P02545 2/20 0.52
AKR1C3 P42330 1/20 0.52
KCNH2 Q12809 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
PHGDH O43175 1/20 0.51

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
SCHEMBL9557210 0.99 ALDH1A1 (0.61) ALDH1A1MAPTCYP2C19HTTNPSR1
SCHEMBL4994038 0.96 ALDH1A1 (0.67) ALDH1A1MAPTCYP2C19HTTNPSR1
SCHEMBL4999081 0.83 ALDH1A1 (0.66) ALDH1A1MAPTCYP2C19HTTNPSR1
SCHEMBL4987745 0.82 RECQL (0.67) ALDH1A1MAPTSMN1; SMN2KMT2ATDP1
SCHEMBL16314622 0.81 USP2 (0.65) MAPTHTTFKBP1ASMN1; SMN2KMT2A
SCHEMBL9557181 0.81 CYP1A2 (0.65) ALDH1A1MAPTCYP2C19HTTFKBP1A
SCHEMBL1953978 0.81 FKBP1A (0.80) MAPTNPSR1FKBP1ASMN1; SMN2TDP1
SCHEMBL6287115 0.80 KMT2A (0.54) ALDH1A1MAPTCYP2C19HTTNPSR1
SCHEMBL9556702 0.80 FKBP1A (0.78) MAPTNPSR1FKBP1ASMN1; SMN2TDP1
SCHEMBL4404789 0.79 ALDH1A1 (0.65) ALDH1A1MAPTCYP2C19HTTNPSR1

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-6846925-B2 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2005-01-25 US disclosed