SCHEMBL9738786

SCHEMBL9738786

N#CC(OC(=O)c1ccccc1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MITF O75030 1/20 0.40
PKM P14618 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
F2 P00734 1/20 0.38
KDM4E B2RXH2 1/20 0.38
METAP2 P50579 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
SCHEMBL11179575 0.84 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2MEN1GAATSHR
SCHEMBL28720392 0.83 TP53 (0.41) KMT2ASMN1; SMN2MEN1GAATP53
SCHEMBL2453510 0.78 TSHR (0.52) KMT2ASMN1; SMN2MEN1TP53TSHR
SCHEMBL8964823 0.78 TSHR (0.52) KMT2ASMN1; SMN2MEN1TP53TSHR
SCHEMBL7239333 0.78 TP53 (0.45) KMT2ASMN1; SMN2MEN1TP53TSHR
SCHEMBL8263643 0.74 ALDH1A1 (0.44) KMT2ASMN1; SMN2GAANCOA3ALDH1A1
SCHEMBL11713544 0.74 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2MEN1GAATSHR
SCHEMBL25403607 0.72 TSHR (0.57) KMT2ASMN1; SMN2TP53TSHRNPC1
SCHEMBL31331854 0.72 KMT2A (0.49) KMT2ASMN1; SMN2MEN1GAATSHR
SCHEMBL783597 0.71 KMT2A (0.63) KMT2ASMN1; SMN2MEN1GAATSHR

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-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed