SCHEMBL28054971

SCHEMBL28054971

CCCCNCc1ccccc1.[H+]

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.69
CHRM2 P08172 1/20 0.67
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
SIGMAR1 Q99720 4/20 0.62
HRH4 Q9H3N8 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C19 P33261 3/20 0.55
LMNA P02545 1/20 0.53
SCN8A Q9UQD0 1/20 0.53
MPO P05164 1/20 0.51

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
SCHEMBL41690 0.98 MAOA (0.72) MAOACHRM2MEN1KMT2ATDP1
Iodide SCHEMBL3001589 0.96 MAOA (0.69) MAOACHRM2MEN1KMT2ATDP1
Bromide SCHEMBL2577914 0.96 MAOA (0.69) MAOACHRM2MEN1KMT2ATDP1
Ammonia Solution, Strong SCHEMBL28964330 0.96 MAOA (0.69) MAOACHRM2MEN1KMT2ATDP1
Water SCHEMBL28180553 0.96 MAOA (0.69) MAOACHRM2MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL588959 0.96 MAOA (0.69) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL29306651 0.94 CHRM2 (0.70) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL16439697 0.94 CHRM2 (0.70) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL19479673 0.92 CHRM2 (0.74) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL538475 0.92 MAOA (0.76) MAOACHRM2MEN1KMT2ATDP1

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
CN-105400394-A Waterproof fluorocarbon powder coating ANHUI JINYANG FLUORINE CHEMICALS CO LTD 2016-03-16 CN disclosed