SCHEMBL16799531

SCHEMBL16799531

CCCOC(c1ccc(NC(C)=O)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ RORC P51449 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL14546864 0.80 SMN1; SMN2 (0.71) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL17114519 0.79 RORC (0.78) RORC
SCHEMBL2079112 0.79 SMN1; SMN2 (0.54) SMN1; SMN2RORCHPGDALDH1A1KMT2A
SCHEMBL18275088 0.78 SRD5A2 (0.45) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL20709290 0.75 RORC (0.43) SMN1; SMN2RORCHPGDALDH1A1KMT2A
SCHEMBL18151593 0.73 MAPT (0.39) RORCHPGDALDH1A1KMT2AMEN1
SCHEMBL5544653 0.73 SMN1; SMN2 (0.71) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL28028708 0.73 SMN1; SMN2 (0.71) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL9784355 0.73 SMN1; SMN2 (0.71) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL669442 0.72 EPHX2 (0.70) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA

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
EP-3077372-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Cel Models IP B.V. (NL) 2016-10-12 — — EP claimed
WO-2015082533-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2015-06-11 — — WO claimed
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