SCHEMBL24701997

SCHEMBL24701997

CCCCOC(=O)C(F)(F)c1ccc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ CYSLTR2 Q9NS75 3/20 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
SCHEMBL14352068 0.87 KMT2A (0.49) L3MBTL1TSHRALDH1A1KMT2AMAPT
SCHEMBL24701948 0.84 ALDH1A1 (0.46) L3MBTL1TSHRTDP1ALDH1A1KMT2A
SCHEMBL24702068 0.77 TSHR (0.45) L3MBTL1TSHRTDP1ALDH1A1KMT2A
SCHEMBL17993796 0.75 TSHR (0.51) L3MBTL1TSHRTDP1ALDH1A1KMT2A
SCHEMBL28231527 0.74 KDM4E (0.58) L3MBTL1TSHRTDP1ALDH1A1KMT2A
SCHEMBL3001120 0.71 ALOX5 (0.46) L3MBTL1ALDH1A1KMT2AMAPTLMNA
SCHEMBL5935781 0.69 ALDH1A1 (0.57) L3MBTL1TSHRTDP1ALDH1A1KMT2A
SCHEMBL14330634 0.69 TSHR (0.41) L3MBTL1TSHRKMT2AMAPTLMNA
SCHEMBL16158216 0.69 CNR2 (0.50) ALDH1A1KMT2ALMNANPC1NFKB1
SCHEMBL27244186 0.69 SMN1; SMN2 (0.43) ALDH1A1KMT2AMAPTNPC1NFKB1

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-4101843-A1 METHOD FOR PRODUCING AROMATIC HETEROCYCLIC RING-SUBSTITUTED DIFLUOROACETIC ACID DERIVATIVE AGC INC. (JP) 2022-12-14 — — EP disclosed
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