SCHEMBL9678347

SCHEMBL9678347

O=C(NS(=O)(=O)c1ccccc1Br)N1N=C(C2CC2)CC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ RIPK1 Q13546 1/20 0.38
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CACNA1H O95180 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ BCL2 P10415 3/20 0.35
▸ BECN1 Q14457 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP13 P45452 1/20 0.34

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
SCHEMBL9676962 0.87 KIF11 (0.44) KIF11RIPK1CA1CA2CNR1
SCHEMBL9677317 0.87 KIF11 (0.42) KIF11MAPTRIPK1CACNA1HKDM4E
SCHEMBL9676928 0.85 CNR1 (0.42) KIF11RIPK1CA1CA2CACNA1H
SCHEMBL9678631 0.85 RIPK1 (0.56) KIF11MAPTRIPK1CA1CA2
SCHEMBL9678774 0.85 ALKBH2 (0.41) KIF11RIPK1CACNA1HKDM4EALDH1A1
SCHEMBL9678797 0.84 RIPK1 (0.40) RIPK1CA1CA2ALDH1A1BCL2
SCHEMBL9678289 0.82 KIF11 (0.36) KIF11RIPK1CA1CA2CACNA1H
SCHEMBL9676007 0.82 RIPK1 (0.36) KIF11RIPK1CACNA1HKDM4EALDH1A1
SCHEMBL9678806 0.82 KIF11 (0.42) KIF11RIPK1CNR1
SCHEMBL9678694 0.81 KIF11 (0.44) KIF11RIPK1CA1CA2CACNA1H

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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