SCHEMBL28010642

SCHEMBL28010642

O=Cc1ccc(C(=O)Nc2ccccc2OC(=O)NC2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
AHR P35869 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
EPHX1 P07099 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 2/20 0.40
MLYCD O95822 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL28347463 0.80 KMT2A (0.53) KMT2ARAB9ANPC1NR1I2LMNA
SCHEMBL22640298 0.77 MLYCD (0.64) KMT2ARAB9ANPC1AHRMEN1
SCHEMBL1663048 0.74 RAB9A (0.59) KMT2ARAB9ANPC1LMNASMN1; SMN2
SCHEMBL2686342 0.70 KMT2A (0.54) KMT2ARAB9ANPC1TP53MEN1
SCHEMBL4061093 0.70 NPC1 (0.66) KMT2ARAB9ANPC1LMNATP53
SCHEMBL22441291 0.70 NPC1 (0.60) KMT2ARAB9ANPC1LMNASMN1; SMN2
SCHEMBL5674883 0.69 EPHX1 (0.48) KMT2ARAB9ALMNATP53EPHX1
SCHEMBL8349329 0.69 HDAC1 (0.70) RAB9ANPC1
SCHEMBL2732773 0.69 HPGD (0.70) KMT2ARAB9ANPC1LMNAEPHX1
SCHEMBL1065454 0.69 F10 (0.49) KMT2ARAB9ANPC1RECQLMEN1

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-102985402-B Tranylcypromine derivatives as inhibitors of histone demethylase LSD1 and/or LSD2 UNIV ROMA 2015-04-29 CN disclosed