SCHEMBL9216119

SCHEMBL9216119

CC(C)(C)CCN=C(NC#N)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ABCC9 O60706 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
KCNJ8 Q15842 1/20 0.44
CYP2C19 P33261 1/20 0.41
TBXA2R P21731 7/20 0.39
TBXAS1 P24557 7/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
P2RX7 Q99572 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL9216081 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4KMT2AMEN1ABCC9
SCHEMBL9502980 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CYP3A4KMT2AMEN1ABCC9
SCHEMBL9502975 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CYP3A4KMT2AMEN1ABCC9
SCHEMBL6377119 0.80 EPHX2 (0.48) SMN1; SMN2KMT2AMEN1TBXA2RTBXAS1
SCHEMBL9214494 0.80 EPHX2 (0.48) SMN1; SMN2KMT2AMEN1TBXA2RTBXAS1
SCHEMBL9217826 0.78 EPHX2 (0.50) SMN1; SMN2CYP2C19TBXA2RTBXAS1
SCHEMBL9211848 0.78 EPHX2 (0.52) SMN1; SMN2KMT2AMEN1TBXA2RTBXAS1
SCHEMBL9211842 0.78 EPHX2 (0.52) SMN1; SMN2KMT2AMEN1TBXA2RTBXAS1
SCHEMBL9215256 0.78 EPHX2 (0.50) SMN1; SMN2CYP2C19TBXA2RTBXAS1
SCHEMBL9214036 0.77 SMN1; SMN2 (0.40) SMN1; SMN2CYP3A4KMT2AMEN1CYP2C19

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
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