SCHEMBL28569094

SCHEMBL28569094

COC(=O)c1cc(F)c(F)cc1NC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.63
CREBBP Q92793 1/20 0.63
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NPC1 O15118 2/20 0.61
CFTR P13569 4/20 0.50
RAB9A P51151 1/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PBRM1 Q86U86 1/20 0.46
IGF1R P08069 1/20 0.46
SRC P12931 1/20 0.46

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
SCHEMBL28579575 0.84 NPC1 (0.72) NR4A2CREBBPMEN1KMT2ANPC1
SCHEMBL92374 0.81 NPC1 (0.61) NR4A2CREBBPMEN1KMT2ANPC1
SCHEMBL92355 0.81 KMT2A (0.67) NR4A2CREBBPMEN1KMT2ANPC1
SCHEMBL20567514 0.79 NPC1 (0.65) NR4A2CREBBPMEN1KMT2ANPC1
SCHEMBL31010176 0.79 NPC1 (0.65) NR4A2CREBBPMEN1KMT2ANPC1
SCHEMBL30031033 0.79 NR4A2 (1.00) NR4A2CREBBPMEN1KMT2ARAB9A
SCHEMBL1093530 0.79 NR4A2 (1.00) NR4A2CREBBPMEN1KMT2ARAB9A
SCHEMBL28572431 0.78 NR4A2 (0.61) NR4A2CREBBPMEN1KMT2ANPC1
SCHEMBL92571 0.78 NPC1 (0.57) NR4A2CREBBPMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL28254334 0.77 NR4A2 (0.97) NR4A2CREBBPMEN1KMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113004187-B Compound with function of inhibiting activity of organic anion transporter 1, preparation method and application 沈阳药科大学 2022-09-20 CN disclosed
CN-113004187-A Compound with function of inhibiting activity of organic anion transporter 1, preparation method and application 沈阳药科大学 2021-06-22 CN disclosed