SCHEMBL8670794

SCHEMBL8670794

O=C1[N]CCN1c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MGLL Q99685 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SCN9A Q15858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM5 P41594 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL8580083 0.79 CA12 (0.45) KMT2AMAPK1ALDH1A1SCN9AGRM5
SCHEMBL2490664 0.73 SIGMAR1 (0.57) MEN1KMT2ASMN1; SMN2TSHRKDM4E
SCHEMBL2750210 0.71 MEN1 (0.56) MEN1KMT2AMGLLSMN1; SMN2TSHR
SCHEMBL8579495 0.70 CA1 (0.44) MEN1KMT2AMGLLSMN1; SMN2MAPK1
SCHEMBL30157756 0.69 MEN1 (0.63) MEN1KMT2AMGLLALDH1A1HSD17B10
SCHEMBL3770108 0.69 MEN1 (0.63) MEN1KMT2AMGLLALDH1A1HSD17B10
SCHEMBL30734147 0.69 MEN1 (0.58) MEN1KMT2AMGLLSMN1; SMN2KDM4E
SCHEMBL1583869 0.69 MEN1 (0.58) MEN1KMT2AMGLLSMN1; SMN2KDM4E
SCHEMBL9441841 0.69 MEN1 (0.44) MEN1KMT2AMGLLSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL1583713 0.68 MEN1 (0.56) MEN1KMT2AMGLLKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814324-A OIL IN WATER EMULSION COMPRISING ANTIFUNGAL TRIAZOLE COMPOUND DISPERSED IN WATER WITH FATTY ACID TRIGLYCERIDE, LECITHIN EMULSIFIER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US disclosed
EP-0746318-A1 INJECTABLE EMULSIONS CONTAINING ANTIFUNGAL TRIAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1996-12-11 EP disclosed
WO-1995022973-A1 INJECTABLE EMULSIONS CONTAINING ANTIFUNGAL TRIAZOLE DERIVATIVES TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 1995-08-31 WO disclosed