SCHEMBL31490900

SCHEMBL31490900

Cc1ccc(C(Cl)(Cl)Cl)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.42
▸ CYP3A4 P08684 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ NFE2L2 Q16236 3/20 0.36
▸ ACHE P22303 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2A6 P11509 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TP53 P04637 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31

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
SCHEMBL10996601 0.84 KIF11 (0.41) KIF11CYP11B1CYP11B2NFE2L2ACHE
SCHEMBL441485 0.79 KIF11 (0.44) KIF11TDP1TSHRCYP11B1CYP11B2
SCHEMBL764426 0.79 CYP11B2 (0.53) KIF11CYP11B1CYP11B2
SCHEMBL14640087 0.77 KIF11 (0.42) KIF11CYP11B1CYP11B2NFE2L2ACHE
SCHEMBL28027575 0.76 TDP1 (0.42) CYP3A4TDP1TSHRMAPK1ACHE
SCHEMBL31433155 0.76 ALDH1A1 (0.42) KIF11CYP3A4TDP1TSHRMAPK1
SCHEMBL11550172 0.76 ALDH1A1 (0.42) KIF11CYP3A4TDP1TSHRMAPK1
SCHEMBL16348230 0.76 KIF11 (0.45) KIF11CYP3A4TDP1TSHRCYP11B1
SCHEMBL11962356 0.76 KIF11 (0.41) KIF11TDP1CYP11B1CYP11B2NFE2L2
SCHEMBL8156993 0.74 CYP3A4 (0.60) CYP3A4TDP1TSHRMAPK1CYP2A6

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-119661371-A Preparation method of 2-fluoro-4-methylaniline 帕潘纳(北京)科技有限公司 2025-03-21 — — CN disclosed
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