SCHEMBL9700336

SCHEMBL9700336

O=[N+]([O-])c1cccc(Cl)c1OCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 3/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
GLA P06280 1/20 0.38
PTPN7 P35236 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
SCHEMBL28565083 0.83 HPGD (0.45) ALDH1A1SMN1; SMN2CYP3A4MAPTPOLB
SCHEMBL2335060 0.82 ALDH1A1 (0.56) PRMT5WDR77ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9699360 0.81 ALDH1A1 (0.49) PRMT5WDR77ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3808783 0.80 NPC1 (0.60) ALDH1A1SMN1; SMN2MAPTPOLBTDP1
SCHEMBL4211452 0.80 NPC1 (0.60) ALDH1A1SMN1; SMN2MAPTPOLBTDP1
SCHEMBL4211458 0.80 NPC1 (0.60) ALDH1A1SMN1; SMN2MAPTPOLBTDP1
SCHEMBL20535670 0.80 TLR4 (0.45) ALDH1A1SMN1; SMN2MAPTPOLBHPGD
SCHEMBL26162631 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP3A4MAPTPOLB
SCHEMBL11590835 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR
SCHEMBL26977909 0.76 MAPT (0.47) ALDH1A1SMN1; SMN2CYP3A4TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 US disclosed
US-5066803-A Chemical intermediates for analgesics STERLING DRUG INC. (US) 1991-11-19 US disclosed
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 WO disclosed
US-4939138-A 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines STERLING DRUG INC. (US) 1990-07-03 US disclosed