SCHEMBL9864739

SCHEMBL9864739

COCCNc1cc(O)c(OCCOCCO)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.57
MAPT P10636 9/20 0.53
ALDH1A1 P00352 8/20 0.53
HCAR3 P49019 1/20 0.48
KMT2A Q03164 2/20 0.46
PTGER4 P35408 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL9866271 0.80 ALDH1A1 (0.43) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL6683177 0.79 ALDH1A1 (0.48) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL6661001 0.79 ALDH1A1 (0.48) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL9864962 0.77 TSHR (0.44) LMNAMAPTALDH1A1HCAR3KMT2A
SCHEMBL9865038 0.75 NPC1 (0.45) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL9865002 0.75 LMNA (0.49) LMNAMAPTALDH1A1HCAR3KMT2A
SCHEMBL13882647 0.75 ALDH1A1 (0.48) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL16479673 0.74 KMT2A (0.57) LMNAMAPTALDH1A1HCAR3KMT2A
SCHEMBL2698755 0.74 LMNA (0.66) LMNAMAPTALDH1A1HCAR3KMT2A
SCHEMBL5523378 0.74 LMNA (0.66) LMNAMAPTALDH1A1HCAR3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015769-A Hair dyes formed by reaction of an alcohol with a phenol in the presence of a strong base for etherification followed by amination L'OREAL (FR) 1991-05-14 US disclosed
US-4740622-A 3-amino-4-nitrophenols, the process for preparation thereof and their use in dyeing keratinous fibres, and new intermediate 4,5-dinitrophenols L'OREAL (FR) 1988-04-26 US disclosed