SCHEMBL2765741

SCHEMBL2765741

COc1cc(-c2cc(CCl)nn2C)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TUBB4A P04350 4/20 0.39
TUBB P07437 4/20 0.39
TUBA3C P0DPH7 4/20 0.39
TUBA1B P68363 4/20 0.39
TUBA4A P68366 4/20 0.39
TUBB4B P68371 4/20 0.39
TUBB3 Q13509 4/20 0.39
TUBB2A Q13885 4/20 0.39
TUBB8 Q3ZCM7 4/20 0.39
TUBA3E Q6PEY2 4/20 0.39
TUBA1A Q71U36 4/20 0.39
TUBA1C Q9BQE3 4/20 0.39
TUBB6 Q9BUF5 4/20 0.39
TUBB2B Q9BVA1 4/20 0.39

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
SCHEMBL2764186 0.85 FYN (0.40) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL2765291 0.82 CA1 (0.38) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL2765235 0.81 TGFBR1 (0.45) KDM4EALDH1A1HSD17B10HTTGAA
SCHEMBL2764392 0.79 PDE4A (0.47) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL2766065 0.78 KDM4E (0.48) KDM4EALDH1A1GAACYP2D6CYP2C9
SCHEMBL2764588 0.73 P2RX7 (0.47) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL2764180 0.73 TLR8 (0.44) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL19585848 0.72 NR1H4 (0.43) ALDH1A1L3MBTL1CYP1A2CYP2D6PTGS2
SCHEMBL7986306 0.72 CA1 (0.53) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL2763992 0.70 TDP1 (0.50) KDM4EALDH1A1HPGDL3MBTL1TUBB4A

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-1400515-B1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP KOWA CO (JP) 2010-04-14 EP disclosed
EP-1400515-A1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6472386-B1 Cyclic diamine compound with 5-membered ring groups KOWA CO., LTD. (JP) 2002-10-29 US disclosed