SCHEMBL9211754

SCHEMBL9211754

N#CN=C(NCCc1ccc(Cl)cc1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.50
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
TBXA2R P21731 4/20 0.47
TBXAS1 P24557 4/20 0.47
KDM4E B2RXH2 1/20 0.47
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL9214502 0.89 KMT2A (0.61) MAPTSMN1; SMN2KMT2ANPC1MEN1
SCHEMBL9214044 0.88 MAPT (0.48) MAPTSMN1; SMN2KMT2ANPC1MEN1
SCHEMBL9216685 0.88 TSHR (0.62) MAPTSMN1; SMN2KMT2ANPC1MEN1
SCHEMBL9214854 0.85 KDM4E (0.48) MAPTSMN1; SMN2KMT2ANPC1MEN1
SCHEMBL9211486 0.82 KMT2A (0.51) MAPTSMN1; SMN2KMT2ANPC1MEN1
SCHEMBL8750753 0.82 P2RX7 (0.48) MAPTSMN1; SMN2KMT2ANPC1MEN1
SCHEMBL9211853 0.81 EPHX2 (0.63) SMN1; SMN2KMT2ANPC1MEN1RAB9A
SCHEMBL9502986 0.80 THRB (0.45) MAPTSMN1; SMN2KMT2ANPC1MEN1
SCHEMBL9212784 0.78 SMN1; SMN2 (0.42) MAPTSMN1; SMN2KMT2ANPC1MEN1
SCHEMBL9211746 0.77 SMN1; SMN2 (0.54) MAPTSMN1; SMN2KMT2ANPC1MEN1

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