SCHEMBL11388137

SCHEMBL11388137

CCC(Oc1ccccc1)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ PKM P14618 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGA4 P13612 1/20 0.39

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
SCHEMBL10906940 0.96 NPC1 (0.44) ATMRAB9ANPC1PKMMAPT
SCHEMBL10910904 0.91 NPC1 (0.42) RAB9ANPC1PKMMAPTKMT2A
SCHEMBL10906894 0.87 NPC1 (0.43) RAB9ANPC1
SCHEMBL11390176 0.85 ATM (0.45) ATMRAB9ANPC1PKMMAPT
SCHEMBL11243575 0.84 FAAH (0.42) —
SCHEMBL10909648 0.83 MAPT (0.48) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL8659039 0.81 NPC1 (0.47) ATMRAB9ANPC1PKMMAPT
SCHEMBL11240030 0.81 ITGA4 (0.44) ATMRAB9ANPC1PKMMAPT
SCHEMBL11235882 0.81 ATM (0.46) ATMRAB9ANPC1PKMMAPT
SCHEMBL10909100 0.80 SLC7A5 (0.44) RAB9ANPC1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040408-A1 Beta-lactam compounds and process for production thereof SANRAKU-OCEAN CO., LTD. (JP) 1981-11-25 — — EP disclosed
EP-0031974-A2 New urea compounds and thiourea compounds, method of preparing the new compounds, and insecticidal compositions on the basis of these compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-07-15 — — EP disclosed
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