SCHEMBL7480402

SCHEMBL7480402

CC=CCn1cc(C)cc1C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
NOD2 Q9HC29 3/20 0.35
NOD1 Q9Y239 3/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35

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
SCHEMBL7480396 1.00 KMT2A (0.38) KMT2ALMNACA12CA1CA2
SCHEMBL27463374 0.81 KDM4E (0.33) ALDH1A1KDM4EPOLBPPARG
SCHEMBL27463375 0.81 KDM4E (0.33) ALDH1A1KDM4EPOLBPPARG
SCHEMBL2497241 0.81 LMNA (0.45) LMNACA12CA1CA2CA7
SCHEMBL17241080 0.73 KDM4E (0.43) KMT2ALMNASMN1; SMN2KDM4EPOLB
SCHEMBL2729849 0.73 RAB9A (0.51) KMT2ALMNACA12CA1CA2
SCHEMBL7478215 0.72 TSHR (0.38) KMT2ACA12CA1CA2CA7
SCHEMBL1562627 0.72 SMN1; SMN2 (0.54) LMNAALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL7478222 0.72 TSHR (0.38) KMT2ACA12CA1CA2CA7
SCHEMBL7472540 0.71 TSHR (0.37) KMT2ACA12CA1CA2CA7

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-0742218-B1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO CO (JP) 2002-12-04 EP disclosed
US-6063782-A Pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2000-05-16 US disclosed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 EP disclosed