SCHEMBL4036835

SCHEMBL4036835

O=C(NCc1cccc(C(F)(F)F)c1)C1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
TSHR P16473 1/20 0.62
KDM4E B2RXH2 1/20 0.58
P2RX7 Q99572 1/20 0.56
MEN1 O00255 2/20 0.53
PLA2G1B P04054 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MLYCD O95822 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ATG4B Q9Y4P1 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
SCHEMBL31414598 1.00 KMT2A (0.62) KMT2ATSHRKDM4EP2RX7MEN1
SCHEMBL4000039 0.93 HTR2C (0.61) KMT2ATSHRKDM4EP2RX7MEN1
SCHEMBL5075663 0.92 KMT2A (0.67) KMT2ATSHRKDM4EP2RX7MEN1
SCHEMBL5526975 0.88 KDM4E (0.65) KMT2ATSHRKDM4EP2RX7MEN1
Formic Acid SCHEMBL5076802 0.87 KMT2A (0.62) KMT2ATSHRKDM4EP2RX7MEN1
SCHEMBL15844342 0.87 ALDH1A1 (0.54) KMT2ATSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL4035356 0.85 ALDH1A1 (0.64) P2RX7HPGDALDH1A1SMN1; SMN2HTR2C
SCHEMBL25156178 0.83 ALDH1A1 (0.56) KMT2ATSHRHPGDALDH1A1SMN1; SMN2
SCHEMBL29583269 0.83 ALDH1A1 (0.56) KMT2ATSHRHPGDALDH1A1SMN1; SMN2
SCHEMBL7314615 0.81 HTR2C (0.60) KMT2ATSHRKDM4EP2RX7MEN1

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
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO disclosed