SCHEMBL9678874

SCHEMBL9678874

CCCCC1CC(C)=NN1C(=O)NS(=O)(=O)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.43
▸ MAPT P10636 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ EDNRA P25101 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ EDNRB P24530 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL9676101 0.85 HTR6 (0.39) RIPK1POLBTERTHDAC3HDAC4
SCHEMBL9675912 0.82 TERT (0.35) RIPK1TBXA2RTERT
SCHEMBL9678631 0.80 RIPK1 (0.56) MAPTRIPK1CA1CA2TERT
SCHEMBL9678698 0.77 RECQL (0.39) RECQLMAPTRIPK1EDNRAPOLB
SCHEMBL9677211 0.74 RECQL (0.38) RECQLMAPTRIPK1EDNRAPOLB
SCHEMBL9676824 0.71 HTR6 (0.40) RECQLMAPTEDNRAPOLBEDNRB
SCHEMBL9678674 0.70 MAPT (0.40) RECQLMAPTRIPK1EDNRAPOLB
SCHEMBL9676168 0.69 RIPK1 (0.51) RIPK1TERT
SCHEMBL9678856 0.69 P2RY12 (0.42) RIPK1EDNRAPOLBCA12CA9
SCHEMBL9678615 0.68 RIPK1 (0.57) RIPK1TERT

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
Send feedback