SCHEMBL9213875

SCHEMBL9213875

N#CN=C(NCc1ccc(Cl)cc1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HTT P42858 3/20 0.44
GAA P10253 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
OPRK1 P41145 1/20 0.44
KMT2A Q03164 5/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL9212784 0.88 SMN1; SMN2 (0.42) KDM4EHTTGAACYP1A2CYP2C9
SCHEMBL9209309 0.87 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2KMT2AHPGDMEN1
SCHEMBL9217886 0.84 TLR7 (0.44) GAASMN1; SMN2KMT2AMEN1TLR7
SCHEMBL9216685 0.77 TSHR (0.62) KDM4EHTTGAACYP1A2CYP2C9
SCHEMBL9216635 0.76 NPC1 (0.42) KDM4EGAASMN1; SMN2LMNAHPGD
SCHEMBL9213917 0.75 SLC2A1 (0.45) KDM4EGAASMN1; SMN2LMNAKMT2A
SCHEMBL7959200 0.75 ALDH1A1 (0.50) KDM4EHTTGAACYP1A2CYP2C9
SCHEMBL9216882 0.75 RAB9A (0.39) KDM4EHTTGAASMN1; SMN2LMNA
SCHEMBL7959203 0.75 ALDH1A1 (0.50) KDM4EHTTGAACYP1A2CYP2C9
SCHEMBL9213866 0.74 NAMPT (0.44) KDM4EHTTGAACYP1A2CYP2C9

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
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
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
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