SCHEMBL20819428

SCHEMBL20819428

O=C(O)NCCOCCCOCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ACHE P22303 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MAOB P27338 2/20 0.46
▸ MAOA P21397 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL18041442 0.95 RAB9A (0.52) RAB9AALDH1A1HPGDSMN1; SMN2ACHE
SCHEMBL3508948 0.80 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL20819322 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CYP2D6CYP2C9CYP2C19MAOB
SCHEMBL29778208 0.80 ALOX5 (0.53) RAB9AALDH1A1HPGDSMN1; SMN2ACHE
SCHEMBL18059295 0.80 ALOX5 (0.53) RAB9AALDH1A1HPGDSMN1; SMN2ACHE
SCHEMBL926393 0.79 TSHR (0.51) RAB9AALDH1A1MEN1KMT2ACYP2D6
SCHEMBL17162119 0.79 SMN1; SMN2 (0.60) RAB9AALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL6253038 0.78 HTR1A (0.51) RAB9AALDH1A1MEN1KMT2ACYP2D6
SCHEMBL10364018 0.78 TGM2 (0.48) RAB9AALDH1A1HPGDMEN1KMT2A
SCHEMBL18051125 0.78 MEN1 (0.53) RAB9AALDH1A1HPGDMEN1KMT2A

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
WO-2019053617-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-21 — — WO disclosed
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