SCHEMBL7970282

SCHEMBL7970282

COC(=NC#N)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
MAPT P10636 5/20 0.43
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
PKM P14618 3/20 0.41
TOP2A P11388 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 2/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL7970278 1.00 KDM4E (0.43) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL7969153 0.83 KDM4E (0.40) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL7969155 0.83 KDM4E (0.40) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL9219821 0.77 POLB (0.39) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL9219816 0.77 POLB (0.39) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL9270772 0.76 KDM4E (0.40) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL9270775 0.76 KDM4E (0.40) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL9209875 0.74 RAB9A (0.63) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL23912944 0.74 POLB (0.53) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL2645337 0.74 RAB9A (0.49) KDM4EMAPTRAB9AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303641-B1 FOR THERAPY AND PROPHYLAXIS OF DISEASES CHARACTERIZED BY ABNORMAL CELL DIFFERENTIATION AND/OR CELL PROLIFERATION SUCH AS PSORIASIS AND CANCER LEO PHARMACEUTICALS PRODUCTS LTD. (DK) 2001-10-16 US disclosed
JP-2000327662-A PRODUCTION OF PYRIDINECARBOXAMIDINE COMPOUND SUMIKA FINE CHEMICALS CO LTD 2000-11-28 JP disclosed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
EP-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 EP disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed