SCHEMBL27398487

SCHEMBL27398487

CC(C)c1ccc(C(N)=O)nc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ KIT P10721 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ SCN9A Q15858 9/20 0.36
▸ FPR2 P25090 6/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ NNMT P40261 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33

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
SCHEMBL25093406 0.81 PTPN1 (0.40) SCN9APTPN1CNR2
SCHEMBL24959363 0.78 APP (0.43) KMT2ASCN9AFPR2PIM1NNMT
SCHEMBL12569462 0.76 PIM1 (0.39) KMT2ASCN9AFPR2PIM1NNMT
SCHEMBL10138886 0.74 BACE1 (0.37) KMT2APDE3BPDE3A
SCHEMBL22768560 0.72 NNMT (0.46) PIM1NNMT
SCHEMBL23717810 0.72 CYP3A4 (0.37) LMNACYP2C19PDE3BPDE3A
SCHEMBL12871319 0.72 NOTUM (0.34) LMNACYP2C19PDE3BPDE3A
SCHEMBL26137557 0.72 CYP3A4 (0.37) CYP2C19PDE3BPDE3A
SCHEMBL11347729 0.71 KMT2A (0.39) KMT2ASCN9APIM1PTPN1NNMT
SCHEMBL23886428 0.71 KMT2A (0.42) KMT2ASCN9AFPR2PIM1PTPN1

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-2024050370-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-03-07 — — WO disclosed
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