SCHEMBL13634968

SCHEMBL13634968

COc1cc(O)cc(Cn2c3ccccc3c3ccc(C(=O)N=C(N)N)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ F10 P00742 3/20 0.40
▸ F2 P00734 2/20 0.40
▸ PRSS1 P07477 2/20 0.40
▸ PLA2G2A P14555 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HTR2B P41595 2/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HDAC1 Q13547 1/20 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
SCHEMBL13061912 0.94 KDM4E (0.44) CNR2P2RX4F10F2PRSS1
SCHEMBL13011699 0.90 PLA2G2A (0.42) CNR2P2RX4F10F2PRSS1
SCHEMBL13011675 0.88 PLA2G2A (0.48) CNR2F10F2PRSS1PLA2G2A
SCHEMBL13062047 0.88 P2RX4 (0.55) CNR2P2RX4F10F2PRSS1
SCHEMBL13061918 0.83 TP53 (0.47) F10F2PRSS1ALDH1A1MAPT
SCHEMBL3767125 0.82 CYP19A1 (0.53) CNR2P2RX4ALDH1A1MAPTKDM4E
SCHEMBL13011683 0.80 P2RX4 (0.52) P2RX4ALDH1A1MAPTKDM4ELMNA
SCHEMBL13011330 0.79 ALDH1A1 (0.50) P2RX4ALDH1A1MAPTKDM4EHCRTR1
SCHEMBL13011698 0.79 HDAC6 (0.44) P2RX4F10F2PRSS1KDM4E
SCHEMBL13011656 0.78 CNR2 (0.53) CNR2MAPTHDAC3HDAC6HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 — — EP disclosed
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