SCHEMBL8524434

SCHEMBL8524434

[Cr]c1cc(-c2ccccc2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.61
NPC1 O15118 11/20 0.61
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NOTUM Q6P988 2/20 0.53
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL19379939 0.76 RAB9A (0.63) RAB9ANPC1MEN1KMT2ANOTUM
3,5-Diphenylisoxazole SCHEMBL1421260 0.76 NPC1 (1.00) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL929198 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL4853385 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL8258186 0.74 NPC1 (0.96) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL224856 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL12959175 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL3751941 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL16519877 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL354043 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ANOTUM

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
US-5952359-A NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES ZENECA LIMITED (GB) 1999-09-14 US disclosed