SCHEMBL9526235

SCHEMBL9526235

O=C(NCCOC(=O)N(CCOc1cccc2ccccc12)c1ccc(Cl)cc1)c1cncc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 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
SCHEMBL9525328 0.87 NPC1 (0.44) LMNANPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9525181 0.83 KDM4E (0.38) LMNANPC1ALDH1A1KMT2APOLB
Iodide SCHEMBL9525294 0.83 HPGD (0.38) LMNANPC1ALDH1A1KMT2APOLB
SCHEMBL9524767 0.82 LMNA (0.53) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9525271 0.82 NPC1 (0.52) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9528248 0.81 LMNA (0.62) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9525983 0.81 NPC1 (0.46) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9524940 0.81 NPC1 (0.44) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9525561 0.80 NPC1 (0.43) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9530668 0.79 SMN1; SMN2 (0.49) LMNANPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP disclosed