SCHEMBL9211368

SCHEMBL9211368

CSc1ccc(CNC(=NC#N)c2ccncc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT3 P42568 1/20 0.43
MLLT1 Q03111 1/20 0.43
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL9218923 0.76 TSHR (0.43) SMN1; SMN2MEN1KMT2APOLBCYP1A2
SCHEMBL9740443 0.76 MEN1 (0.46) MLLT3MLLT1EPHX2NR1H4SMN1; SMN2
SCHEMBL9211361 0.75 NAMPT (0.42) SMN1; SMN2
SCHEMBL9211552 0.75 NAMPT (0.42) SMN1; SMN2
SCHEMBL4685969 0.73 HTT (0.43) SMN1; SMN2L3MBTL1RAB9ALMNAHTT
SCHEMBL4685972 0.73 HTT (0.43) SMN1; SMN2L3MBTL1RAB9ALMNAHTT
SCHEMBL9218840 0.70 NAMPT (0.49) SMN1; SMN2MEN1KMT2APOLBHPGD
SCHEMBL9214854 0.69 KDM4E (0.48) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL7744515 0.68 LOXL2 (0.42) SMN1; SMN2L3MBTL1RAB9ALMNAHTT
SCHEMBL9213657 0.68 RAB9A (0.48) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4

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