SCHEMBL9214036

SCHEMBL9214036

N#CN/C(=N\CCc1ccc(N)cc1)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NAMPT P43490 4/20 0.39
POLB P06746 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
GBA1 P04062 1/20 0.38
EPHX2 P34913 1/20 0.38
TBXA2R P21731 1/20 0.37
TBXAS1 P24557 1/20 0.37
HDAC1 Q13547 1/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL9214042 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NAMPTPOLBHRH4GBA1
SCHEMBL6377119 0.89 EPHX2 (0.48) SMN1; SMN2NAMPTHRH4EPHX2TBXA2R
SCHEMBL9214494 0.89 EPHX2 (0.48) SMN1; SMN2NAMPTHRH4EPHX2TBXA2R
SCHEMBL9211741 0.88 SMN1; SMN2 (0.54) SMN1; SMN2NAMPTPOLBCYP3A4MAPT
SCHEMBL9211746 0.88 SMN1; SMN2 (0.54) SMN1; SMN2NAMPTPOLBCYP3A4MAPT
SCHEMBL9214241 0.82 LTA4H (0.45) SMN1; SMN2NAMPTHRH4EPHX2CYP3A4
SCHEMBL9211481 0.82 LTA4H (0.45) SMN1; SMN2NAMPTHRH4EPHX2CYP3A4
SCHEMBL9211842 0.82 EPHX2 (0.52) SMN1; SMN2NAMPTHRH4EPHX2TBXA2R
SCHEMBL9211848 0.82 EPHX2 (0.52) SMN1; SMN2NAMPTHRH4EPHX2TBXA2R
SCHEMBL9502980 0.81 SMN1; SMN2 (0.46) SMN1; SMN2POLBHRH4TBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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