SCHEMBL28944299

SCHEMBL28944299

CNC(F)(Cc1cccc(F)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HCAR2 Q8TDS4 2/20 0.43
RIPK1 Q13546 1/20 0.43
SLC1A1 P43005 2/20 0.42
FFAR1 O14842 1/20 0.42
SRC P12931 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
NR4A2 P43354 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 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
SCHEMBL4452546 0.83 LMNA (0.52) TAAR1
SCHEMBL27055444 0.80 SLC1A1 (0.46) TAAR1MEN1KMT2AHCAR2RIPK1
SCHEMBL23430237 0.79 RIPK1 (0.49) MEN1KMT2AHCAR2RIPK1SLC1A1
SCHEMBL1529786 0.78 SLC1A1 (0.48) TAAR1HCAR2RIPK1SLC1A1NR4A2
SCHEMBL7271843 0.76 BLM (0.58) TAAR1MEN1KMT2AHCAR2RIPK1
SCHEMBL6340955 0.76 BLM (0.58) TAAR1MEN1KMT2AHCAR2RIPK1
SCHEMBL6340957 0.76 BLM (0.58) TAAR1MEN1KMT2AHCAR2RIPK1
SCHEMBL24236707 0.76 RIPK1 (0.44) MEN1KMT2AHCAR2RIPK1SLC1A1
SCHEMBL24236710 0.76 RIPK1 (0.44) MEN1KMT2AHCAR2RIPK1SLC1A1
SCHEMBL24236744 0.76 RIPK1 (0.44) MEN1KMT2AHCAR2RIPK1SLC1A1

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
CN-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 CN disclosed