SCHEMBL29837142

SCHEMBL29837142

CN(CC(C)(O)C(F)(F)F)C(=O)Nc1nnc(Cc2cccc(F)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ GLS O94925 4/20 0.48
▸ DGAT1 O75907 1/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 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
SCHEMBL24846111 1.00 KMT2A (0.48) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846113 1.00 KMT2A (0.48) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846684 1.00 KMT2A (0.48) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846403 0.90 DGAT1 (0.41) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846718 0.90 DGAT1 (0.41) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846402 0.90 DGAT1 (0.41) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846712 0.89 KMT2A (0.47) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846719 0.89 KMT2A (0.47) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24847734 0.89 KMT2A (0.47) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846609 0.86 RXFP1 (0.38) KMT2AMEN1GLSDGAT1NPC1

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
EP-4055011-A1 MRGPRX2 ANTAGONISTS AND USES THEREOF Dermira, Inc (US) 2022-09-14 — — EP disclosed
Send feedback