SCHEMBL21597900

SCHEMBL21597900

O=C(O)Nc1ccc(CNC(=O)C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.55
▸ NR1H4 Q96RI1 1/20 0.55
▸ NPC1 O15118 4/20 0.50
▸ MTOR P42345 2/20 0.49
▸ RAB9A P51151 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAOB P27338 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PPID Q08752 1/20 0.43
▸ RORC P51449 1/20 0.42

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
SCHEMBL17979590 0.82 NPC1 (0.59) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL5913235 0.81 EPHX2 (0.52) EPHX2NR1H4NPC1MTORSMN1; SMN2
SCHEMBL7850276 0.81 RIPK1 (0.49) EPHX2NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL15013037 0.81 SMN1; SMN2 (0.56) EPHX2NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL30471275 0.80 RIPK1 (0.61) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL4765237 0.80 RIPK1 (0.61) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3765919 0.80 CA12 (0.59) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL1435285 0.79 KMT2A (0.61) EPHX2NR1H4MEN1KMT2AALDH1A1
SCHEMBL506307 0.79 MTOR (0.54) EPHX2NR1H4MTORSMN1; SMN2POLB
SCHEMBL2054822 0.79 EPHX2 (0.50) EPHX2NR1H4SMN1; SMN2POLBMEN1

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
WO-2019243825-A1 SMALL MOLECULE MODULATORS OF HUMAN STING, CONJUGATES AND THERAPEUTIC APPLICATIONS CURADEV PHARMA LIMITED (GB) 2019-12-26 — — WO disclosed
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