SCHEMBL11614641

SCHEMBL11614641

N=C(Nc1ccc(F)cc1)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
LMNA P02545 3/20 0.65
NPY5R Q15761 1/20 0.59
ROCK1 Q13464 2/20 0.58
MAPT P10636 7/20 0.58
ADORA3 P0DMS8 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
MAPK1 P28482 3/20 0.57
RECQL P46063 1/20 0.57
FZD7 O75084 1/20 0.55
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 3/20 0.54
HTT P42858 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
ALOX5 P09917 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL9460181 0.90 MAPT (0.69) MEN1KMT2ALMNAROCK1MAPT
SCHEMBL11611580 0.87 MAPT (0.58) MEN1KMT2ALMNAROCK1MAPT
SCHEMBL11614626 0.85 CSNK2A1 (0.70) MEN1KMT2ALMNAROCK1MAPT
SCHEMBL11613436 0.81 MEN1 (0.59) MEN1KMT2ALMNAROCK1MAPT
SCHEMBL1820221 0.80 NPY5R (0.88) MEN1KMT2ALMNANPY5RMAPT
SCHEMBL11613685 0.79 MEN1 (0.74) MEN1KMT2ALMNAMAPTADORA3
SCHEMBL4743979 0.77 ROCK1 (0.87) MEN1KMT2ALMNAROCK1MAPT
SCHEMBL3610442 0.76 ALOX5 (0.59) MEN1KMT2ALMNANPY5RROCK1
SCHEMBL27259260 0.76 ALDH1A1 (0.78) MEN1KMT2ALMNAROCK1MAPT
SCHEMBL3603436 0.76 MEN1 (0.61) MEN1KMT2ALMNAMAPTADORA3

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
US-4089965-A Thiazolylphenylguanidines as antirhinovirus agents AMERICAN CYANAMID COMPANY (US) 1978-05-16 US claimed
US-4089965-A Thiazolylphenylguanidines as antirhinovirus agents AMERICAN CYANAMID COMPANY (US) 1978-05-16 US disclosed