SCHEMBL9386347

SCHEMBL9386347

CN(C)c1nc(CCN)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AOC3 Q16853 1/20 0.37
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NOS1 P29475 1/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTOR P42345 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL18381553 0.84 MEN1 (0.50) MEN1KMT2AMAPTRAB9A
SCHEMBL13947093 0.82 MEN1 (0.53) MEN1KMT2AMAPTRAB9ANOS1
Hydrochloric Acid SCHEMBL5013618 0.82 MEN1 (0.49) MEN1KMT2AMAPTRAB9A
Hydrochloric Acid SCHEMBL21110571 0.82 MEN1 (0.49) MEN1KMT2AMAPTRAB9A
SCHEMBL6792988 0.80 KMT2A (0.44) MEN1KMT2AAOC3MAPTRAB9A
SCHEMBL15080504 0.79 MEN1 (0.50) MEN1KMT2AMAPTRAB9ATDP1
SCHEMBL11991390 0.78 MEN1 (0.49) MEN1KMT2AMAPTRAB9ANOS1
SCHEMBL13662109 0.78 MEN1 (0.56) MEN1KMT2AMAPTRAB9AADRB2
SCHEMBL10958735 0.78 MEN1 (0.42) MEN1KMT2AMAPTRAB9ACYP2C9
SCHEMBL7179302 0.76 KMT2A (0.50) MEN1KMT2AMAPTRAB9ATDP1

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-0321191-B1 Heterocyclic-substituted quinoline-carboxylic acids PFIZER (US) 1994-11-02 EP disclosed
US-5214051-A Thiazolyl and oxazolyl[5,4-c]piperidyl-substituted quinolone-carboxylic acid and related analogs thereof having antibacterial properties are disclosed PFIZER INC. (US) 1993-05-25 US disclosed
US-5037834-A Heterocycylic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1991-08-06 US disclosed
WO-1989005643-A1 HETEROCYCLIC-SUBSTITUTED QUINOLINE-CARBOXYLIC ACIDS PFIZER INC. (US) 1989-06-29 WO disclosed
EP-0321191-A2 Heterocyclic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1989-06-21 EP disclosed