SCHEMBL19554263

SCHEMBL19554263

CC(C)Oc1cc(NC(=O)c2ccc3cc(Cl)ccc3c2)c(C(=O)O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
PKM P14618 1/20 0.51
SERPINE1 P05121 5/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PRSS12 P56730 2/20 0.45
HPGD P15428 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45

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
SCHEMBL19554290 0.89 SMN1; SMN2 (0.47) MEN1KMT2ANPSR1PKMALDH1A1
SCHEMBL19554283 0.88 KDM4E (0.60) MEN1KMT2ANPSR1PKMSERPINE1
SCHEMBL19554188 0.87 F11 (0.47) MEN1KMT2ANPSR1PKMSERPINE1
SCHEMBL19554111 0.79 KMT2A (0.58) MEN1KMT2ANPSR1PKMSERPINE1
SCHEMBL19554288 0.79 KMT2A (0.55) MEN1KMT2ANPSR1PKMALDH1A1
SCHEMBL19554300 0.79 MAPT (0.56) MEN1KMT2ANPSR1PKMALDH1A1
SCHEMBL19554221 0.79 KMT2A (0.64) MEN1KMT2ANPSR1PKMALDH1A1
SCHEMBL19554134 0.78 SERPINE1 (0.68) SERPINE1KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL19554243 0.78 KMT2A (0.57) MEN1KMT2ANPSR1PKMALDH1A1
SCHEMBL19554152 0.77 MEN1 (0.47) MEN1KMT2ANPSR1PKMSERPINE1

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