SCHEMBL9820308

SCHEMBL9820308

Nc1c(CCCO)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GPR35 Q9HC97 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ CTSD P07339 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL994423 0.90 ALDH1A1 (0.49) ALDH1A1TSHRGPR35TDP1HPGD
SCHEMBL6259352 0.84 ALDH1A1 (0.63) ALDH1A1TSHRGPR35TDP1HPGD
SCHEMBL1645029 0.83 ALDH1A1 (0.52) ALDH1A1TSHRGPR35TDP1HPGD
SCHEMBL28796972 0.83 BID (0.43) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL9820277 0.81 ALDH1A1 (0.46) ALDH1A1TSHRGPR35TDP1HPGD
SCHEMBL28190369 0.81 ALDH1A1 (0.40) ALDH1A1TSHRGPR35TDP1HPGD
SCHEMBL28003051 0.81 BID (0.46) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL19764227 0.80 ALDH1A1 (0.42) ALDH1A1TSHRGPR35TDP1HPGD
SCHEMBL7564163 0.80 ALDH1A1 (0.61) ALDH1A1TSHRGPR35TDP1HPGD
SCHEMBL30166416 0.79 FBP1 (0.48) ALDH1A1TSHRGPR35TDP1CTSD

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
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 — — EP claimed
Send feedback