SCHEMBL9312449

SCHEMBL9312449

NC(=S)Nc1ccccc1-c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CHRM3 P20309 4/20 0.44
POLB P06746 1/20 0.42
CTSL P07711 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAOB P27338 1/20 0.41
QPCT Q16769 1/20 0.41
IDO1 P14902 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL9311074 0.82 L3MBTL1 (0.49) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9311653 0.81 SIGMAR1 (0.57) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL11161391 0.81 CYP1A2 (0.54) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9312892 0.79 MAPT (0.47) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9311478 0.79 MAPT (0.43) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3909899 0.79 HTT (0.51) MEN1ALDH1A1KMT2AGAAMAPT
SCHEMBL11164330 0.78 ALDH1A1 (0.56) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4719640 0.78 QPCT (0.45) SMN1; SMN2KDM4EMAPTCHRM3POLB
SCHEMBL11170398 0.78 L3MBTL1 (0.45) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9311576 0.76 JAK2 (0.45) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO disclosed
EP-0017484-B1 2-IMIDAZOLINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-06 EP disclosed
EP-0017484-A1 2-Imidazoline derivatives, process for the preparation thereof and the pharmaceutical composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-10-15 EP disclosed