SCHEMBL23398656

SCHEMBL23398656

CCCCc1c(-c2ccccc2)c(O)nn1-c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ADORA3 P0DMS8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD11B1 P28845 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
SCHEMBL23399733 0.93 ALDH1A1 (0.46) RPA1RAB9ANPC1POLBHPGD
SCHEMBL23400119 0.89 KDM4E (0.41) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL23403272 0.89 CNR1 (0.47) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL23403399 0.88 RPA1 (0.47) RPA1RAB9ANPC1POLBHPGD
SCHEMBL23399845 0.86 CNR1 (0.40) RAB9ANPC1SMN1; SMN2ADORA3MAPT
SCHEMBL23402931 0.83 RPA1 (0.44) RPA1RAB9ASMN1; SMN2L3MBTL1ADORA3
SCHEMBL23402113 0.82 RPA1 (0.44) RPA1RAB9ANPC1POLBHPGD
SCHEMBL23402214 0.81 ADORA3 (0.40) RAB9ANPC1POLBSMN1; SMN2ADORA3
SCHEMBL23400157 0.81 PDE4D (0.42) NPC1HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL23399550 0.81 USP2 (0.44) RAB9ANPC1POLBSMN1; SMN2ALDH1A1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed