SCHEMBL8949288

SCHEMBL8949288

COC(=O)Cc1ccc(NC(=O)c2cc(-c3ccc(C#N)cc3)nn(C)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.43
NR3C1 P04150 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
TP53 P04637 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
PHGDH O43175 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
THRB P10828 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
Hydrochloric Acid SCHEMBL8949189 0.83 SMN1; SMN2 (0.44) KDM4EKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9571680 0.79 EGLN1 (0.42) KDM4ESMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL7275259 0.74 PHGDH (0.48) KDM4EKMT2AALDH1A1GAAHPGD
SCHEMBL8949066 0.74 ALDH1A1 (0.46) KDM4ESMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL8949264 0.74 NR1H4 (0.45) KDM4EPHGDHNR1H4
SCHEMBL7276252 0.73 HPGD (0.57) KDM4EKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7277714 0.72 PHGDH (0.35) KDM4EALDH1A1GAAHPGDPHGDH
SCHEMBL8949190 0.72 PHGDH (0.43) KDM4EALDH1A1GAAHPGDPHGDH
SCHEMBL8949262 0.72 EGLN1 (0.45) KMT2ARAB9APHGDHCNR2
SCHEMBL8949256 0.72 EGLN1 (0.45) KMT2ARAB9APHGDHCNR2

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
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed