SCHEMBL11308452

SCHEMBL11308452

O=[N+]([O-])c1cc(N(CCO)CCO)ccc1N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
TDP1 Q9NUW8 4/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 10/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 1/20 0.51
PKM P14618 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
GAA P10253 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CTSB P07858 1/20 0.48
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7519583 0.91 ALDH1A1 (0.56) MAPTTDP1LMNAMAPK1ALDH1A1
SCHEMBL7805754 0.89 ALDH1A1 (0.55) MAPTTDP1LMNAMAPK1ALDH1A1
SCHEMBL11308943 0.88 GAA (0.57) MAPTTDP1LMNAMAPK1ALDH1A1
SCHEMBL20989755 0.79 MAPT (0.56) MAPTTDP1LMNAMAPK1ALDH1A1
SCHEMBL18155145 0.79 MAPT (0.56) MAPTTDP1LMNAMAPK1ALDH1A1
SCHEMBL7811975 0.78 ALDH1A1 (0.57) MAPTTDP1LMNAMAPK1ALDH1A1
SCHEMBL7465969 0.78 SMN1; SMN2 (0.53) MAPTTDP1LMNAALDH1A1SMN1; SMN2
SCHEMBL7808022 0.76 ALDH1A1 (0.62) MAPTTDP1LMNAMAPK1ALDH1A1
SCHEMBL3718871 0.76 MAPT (0.63) MAPTTDP1LMNAMAPK1ALDH1A1
SCHEMBL6151379 0.76 ALDH1A1 (0.63) MAPTTDP1LMNAMAPK1ALDH1A1

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-RE30798-E BY REACTING 4-FLUORO-3-NITROANILINES WITH AMMONIA OR A PRIMARY OR SECONDARY AMINE CLAIROL INCORPORATED (US) 1981-11-17 US disclosed