SCHEMBL9676874

SCHEMBL9676874

O=C(NS(=O)(=O)c1c(F)cccc1F)N1N=CCC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ RIPK1 Q13546 13/20 0.52
▸ MAPT P10636 2/20 0.52
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ HTR6 P50406 2/20 0.46

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
SCHEMBL9676723 0.88 RIPK1 (0.52) NPC1RAB9APOLBRIPK1MAPT
SCHEMBL9676475 0.87 POLB (0.59) NPC1RAB9APOLBRIPK1MAPT
SCHEMBL9677810 0.86 NPC1 (0.40) NPC1RAB9APOLBRIPK1MAPT
SCHEMBL9678564 0.84 POLB (0.57) NPC1RAB9APOLBRIPK1MAPT
SCHEMBL9679257 0.82 RIPK1 (0.36) NPC1RAB9ARIPK1MAPTLMNA
SCHEMBL9676937 0.80 RIPK1 (0.53) RIPK1LMNAALDH1A1
SCHEMBL9677567 0.79 RIPK1 (0.55) NPC1RAB9APOLBRIPK1MAPT
SCHEMBL9677282 0.79 RIPK1 (0.55) NPC1RAB9APOLBRIPK1MAPT
SCHEMBL9677274 0.79 POLB (0.67) NPC1RAB9APOLBRIPK1MAPT
SCHEMBL9676868 0.79 POLB (0.58) NPC1RAB9APOLBRIPK1MAPT

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 6 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 claimed
US-4927452-A 1-carbonyl-2-pyrazoline derivatives having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1990-05-22 — — US claimed
EP-0269141-A2 1-Carbamoyl-2-pyrazoline derivatives having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1988-06-01 — — EP claimed
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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