SCHEMBL9212784

SCHEMBL9212784

N#CN=C(NCCc1ccc(Cl)cc1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
SLC2A1 P11166 1/20 0.42
MITF O75030 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRK1 P41145 1/20 0.42
HTT P42858 1/20 0.42
CNR1 P21554 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
FPR3 P25089 1/20 0.41
TRPA1 O75762 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
SCHEMBL9213917 0.88 SLC2A1 (0.45) SMN1; SMN2KDM4ELMNASLC2A1GAA
SCHEMBL9213875 0.88 KDM4E (0.46) SMN1; SMN2KDM4ELMNAMITFCYP1A2
SCHEMBL9214854 0.80 KDM4E (0.48) SMN1; SMN2KDM4ELMNACYP1A2GAA
SCHEMBL9211754 0.78 MAPT (0.64) SMN1; SMN2KDM4ECYP1A2CYP3A4GAA
SCHEMBL9591211 0.77 MEN1 (0.46) SMN1; SMN2KDM4ELMNASLC2A1MITF
SCHEMBL9212769 0.76 HTR1A (0.46) SMN1; SMN2KDM4ELMNAMITFCYP1A2
SCHEMBL9212779 0.76 HTR1A (0.46) SMN1; SMN2KDM4ELMNAMITFCYP1A2
SCHEMBL9209309 0.75 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMEN1KMT2ANPC1
SCHEMBL7959200 0.73 ALDH1A1 (0.50) SMN1; SMN2KDM4ELMNACYP1A2CYP3A4
SCHEMBL9216882 0.73 RAB9A (0.39) SMN1; SMN2KDM4ELMNAGAAHTT

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 7 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-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