SCHEMBL7501747

SCHEMBL7501747

O=C(O)c1ccc(C(=O)/C=C/c2ncc[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TLK2 Q86UE8 2/20 0.49
CYP2D6 P10635 1/20 0.46
XDH P47989 1/20 0.43
MAPT P10636 5/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CXCL12 P48061 1/20 0.39
CYP1B1 Q16678 7/20 0.39
MAOB P27338 2/20 0.39
PLIN1 O60240 1/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.39
TNFRSF1A P19438 1/20 0.39
ACHE P22303 1/20 0.39
RECQL P46063 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 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
SCHEMBL7501752 1.00 KDM4E (0.51) KDM4EALDH1A1TLK2CYP2D6XDH
SCHEMBL7502776 0.89 RAB9A (0.55) KDM4EALDH1A1TLK2CYP2D6MAPT
SCHEMBL7502771 0.89 RAB9A (0.55) KDM4EALDH1A1TLK2CYP2D6MAPT
SCHEMBL7500993 0.88 F3 (0.53) KDM4EALDH1A1MAPTRAB9ACXCL12
SCHEMBL7500978 0.88 F3 (0.53) KDM4EALDH1A1MAPTRAB9ACXCL12
SCHEMBL7503829 0.86 CYP1B1 (0.50) KDM4EALDH1A1MAPTRAB9AMAPK1
SCHEMBL3041751 0.86 CXCL12 (0.40) KDM4EALDH1A1TLK2MAPTRAB9A
SCHEMBL3041754 0.86 CXCL12 (0.40) KDM4EALDH1A1TLK2MAPTRAB9A
SCHEMBL7503643 0.86 SMN1; SMN2 (0.56) ALDH1A1TLK2MAPTMAPK1SMN1; SMN2
SCHEMBL7503648 0.86 SMN1; SMN2 (0.56) ALDH1A1TLK2MAPTMAPK1SMN1; SMN2

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-0924202-B1 Imidazole derivative and medicine comprising the same as active ingredient SSP CO LTD (JP) 2002-05-29 EP disclosed
US-6071943-A IMMUNOMODULATORS WHICH SUPPRESS SPECIFIC CYTOKINES, FOR AUTOIMMUNE DISEASES SSP CO. LTD. (JP) 2000-06-06 US disclosed
EP-0924202-A1 Imidazole derivative and medicine comprising the same as active ingredient SSP Co., Ltd. (JP) 1999-06-23 EP disclosed