SCHEMBL7426439

SCHEMBL7426439

[CH2]C(=O)NCCN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA9 Q16790 3/20 0.58
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 2/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
RAB9A P51151 1/20 0.46
CNR1 P21554 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL423449 0.98 CA12 (0.59) CA12CA1CA2CA9NPC1
SCHEMBL8761515 0.86 SMN1; SMN2 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL3941634 0.83 HDAC2 (0.53) CA12CA1CA2CA9NPC1
SCHEMBL427558 0.82 TDP1 (0.57) CA12CA1CA2CA9ALDH1A1
SCHEMBL10359623 0.82 HSD17B10 (0.59) CA12CA1CA2CA9NPC1
SCHEMBL3893911 0.80 CA12 (0.63) CA12CA1CA2CA9NPC1
SCHEMBL165673 0.80 CA12 (0.60) CA12CA1CA2CA9NPC1
SCHEMBL7540534 0.79 CA12 (0.55) CA12CA1CA2CA9NPC1
SCHEMBL16542292 0.78 CA12 (0.58) CA12CA1CA2CA9NPC1
SCHEMBL613024 0.78 CA12 (0.58) CA12CA1CA2CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861249-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-02 EP claimed
US-5753660-A Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-05-19 US claimed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 WO claimed
EP-0861249-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-02 EP disclosed
US-5753660-A Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-05-19 US disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 WO disclosed
EP-0192255-B1 BIS-2H-PYRROLIDINE DIONES CIBA-GEIGY AG (CH) 1990-08-08 EP disclosed
US-4789674-A ALZHEIMER'S DISEASE, MEMORY, DEMENTIA CIBA-GEIGY CORPORATION (US) 1988-12-06 US disclosed
US-4758575-A Bi-2H-pyrroli(di)nediones CIBA-GEIGY CORPORATION (US) 1988-07-19 US disclosed
EP-0192255-A2 Bis-2H-pyrrolidine diones CIBA-GEIGY AG (CH) 1986-08-27 EP disclosed