SCHEMBL19554180

SCHEMBL19554180

O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1C(=O)O)c1ccc2cc(F)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 1/20 0.54
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 1/20 0.47
KCNH2 Q12809 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL19554292 0.85 PYGL (0.47) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL19554093 0.83 SMN1; SMN2 (0.62) KDM4EALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL19554290 0.81 SMN1; SMN2 (0.47) KDM4EALDH1A1HDAC1HDAC8HDAC6
SCHEMBL19554330 0.80 KCNK2 (0.46) ALDH1A1HDAC1MEN1KMT2ASMN1; SMN2
SCHEMBL19554145 0.79 ALDH1A1 (0.45) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL19554338 0.78 SLC16A3 (0.43) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL19554206 0.78 SLC16A3 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL19554215 0.78 SMN1; SMN2 (0.44) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL19554249 0.78 ACLY (0.50) HDAC1MEN1KMT2AMAPTTDP1
SCHEMBL19554240 0.78 STING1 (0.50) KDM4EHDAC1NPC1RAB9AMEN1

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO claimed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed