SCHEMBL9212709

SCHEMBL9212709

N#CN=C(NCCc1ccccc1)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALOX12 P18054 1/20 0.50
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
GAA P10253 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 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
SCHEMBL9208893 0.81 GPR52 (0.43) SMN1; SMN2RAB9ANPC1L3MBTL1LMNA
SCHEMBL31538044 0.79 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1L3MBTL1ALOX12
SCHEMBL9210616 0.77 ABCB1 (0.50) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL18087175 0.76 PLAAT5 (0.49) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL19819194 0.76 PLAAT5 (0.49) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL11188837 0.76 ALDH1A1 (0.62) SMN1; SMN2RAB9ANPC1L3MBTL1ALOX12
SCHEMBL11188835 0.76 ALDH1A1 (0.62) SMN1; SMN2RAB9ANPC1L3MBTL1ALOX12
SCHEMBL9214596 0.75 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1L3MBTL1ALOX12
SCHEMBL9212059 0.75 GPR52 (0.42) SMN1; SMN2RAB9ANPC1ALOX12ALDH1A1
SCHEMBL31538022 0.74 RAB9A (0.52) SMN1; SMN2RAB9ANPC1L3MBTL1ALOX12

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