SCHEMBL9528248

SCHEMBL9528248

O=C(NCCOc1cccc2ccccc12)OCCNC(=O)c1cncc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
NPC1 O15118 4/20 0.61
RAB9A P51151 3/20 0.61
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.48
GLA P06280 1/20 0.48
MAPT P10636 1/20 0.48
KDR P35968 1/20 0.45
HSP90AA1 P07900 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL9524767 0.82 LMNA (0.53) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9525271 0.82 NPC1 (0.52) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9526235 0.81 LMNA (0.49) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9524940 0.74 NPC1 (0.44) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9525983 0.74 NPC1 (0.46) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9526055 0.73 HSD17B10 (0.47) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9525375 0.73 NPC1 (0.45) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9525465 0.73 NPC1 (0.47) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9525255 0.73 KDM4E (0.44) ALDH1A1SMN1; SMN2KDM4EHPGDPOLB
SCHEMBL9524147 0.73 KDM4E (0.44) LMNANPC1RAB9AALDH1A1KDM4E

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