SCHEMBL9215332

SCHEMBL9215332

N#CN/C(=N\c1ccccc1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 3/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 2/20 0.40
ADRA1A P35348 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 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
SCHEMBL9218386 1.00 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHTTRAB9A
SCHEMBL9209871 0.85 MAPT (0.48) ALDH1A1MAPTLMNAHTTRAB9A
SCHEMBL9212813 0.85 MAPT (0.48) ALDH1A1MAPTLMNAHTTRAB9A
SCHEMBL9218676 0.76 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL9218679 0.76 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL9219153 0.75 HTR1A (0.47) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9216880 0.75 HTR1A (0.47) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL239417 0.73 KDM4E (0.63) ALDH1A1MAPTLMNAHTTRAB9A
SCHEMBL13754805 0.73 KDM4E (0.63) ALDH1A1MAPTLMNAHTTRAB9A
SCHEMBL239416 0.73 KDM4E (0.63) ALDH1A1MAPTLMNAHTTRAB9A

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