SCHEMBL9676402

SCHEMBL9676402

CCC1=NN(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ALKBH2 Q6NS38 1/20 0.41
▸ ALKBH3 Q96Q83 1/20 0.41
▸ FTO Q9C0B1 1/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ PKLR P30613 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ SLC22A12 Q96S37 2/20 0.38
▸ KAT6A Q92794 1/20 0.38

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
SCHEMBL9678605 0.85 KMT2A (0.46) ALDH1A1KMT2AMEN1POLBRXFP1
SCHEMBL9679216 0.83 HTR6 (0.46) ALDH1A1POLB
SCHEMBL9678798 0.80 CA1 (0.43) ALDH1A1KMT2AMEN1LMNA
SCHEMBL9678789 0.76 HTR6 (0.53) ALKBH2ALKBH3FTO
SCHEMBL9679238 0.76 MEN1 (0.46) ALDH1A1KMT2AMEN1RXFP1ALKBH2
SCHEMBL9677152 0.75 HTR6 (0.45) KMT2AMEN1LMNACCR1
SCHEMBL9678534 0.73 ALKBH2 (0.43) ALDH1A1KMT2AMEN1RXFP1ALKBH2
SCHEMBL9678273 0.72 ALKBH2 (0.39) ALDH1A1KMT2AMEN1POLBRXFP1
SCHEMBL25436732 0.71 MEN1 (0.60) ALDH1A1KMT2AMEN1RXFP1ALKBH2
SCHEMBL9677819 0.71 ALKBH2 (0.41) ALDH1A1KMT2AMEN1POLBRXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269141-B1 1-CARBAMOYL-2-PYRAZOLINE DERIVATIVES HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1992-09-16 — — EP disclosed
US-4927452-A 1-carbonyl-2-pyrazoline derivatives having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1990-05-22 — — US disclosed
EP-0269141-A2 1-Carbamoyl-2-pyrazoline derivatives having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1988-06-01 — — EP disclosed
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