SCHEMBL9213482

SCHEMBL9213482

N#CN=C(NCc1cccc(OCc2ccccc2)c1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR132 Q9UNW8 11/20 0.48
CMKLR2 P46091 1/20 0.48
CMKLR1 Q99788 1/20 0.48
RAB9A P51151 1/20 0.47
BCHE P06276 1/20 0.46
SMPD1 P17405 1/20 0.46
SENP5 Q96HI0 1/20 0.46
SENP2 Q9HC62 1/20 0.46
SENP1 Q9P0U3 1/20 0.46

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
SCHEMBL9216871 0.88 MAPK1 (0.49) MAPK1ALDH1A1THRBSMN1; SMN2GPR132
SCHEMBL9211594 0.84 KEAP1 (0.52) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL9213479 0.80 MAPK1 (0.51) MAPK1ALDH1A1LMNATHRBSMN1; SMN2
SCHEMBL9217254 0.80 MAPK1 (0.51) MAPK1ALDH1A1LMNATHRBSMN1; SMN2
SCHEMBL9209217 0.77 LMNA (0.48) MAPK1ALDH1A1LMNATHRBSMN1; SMN2
Hydrochloric Acid SCHEMBL9210672 0.76 LMNA (0.47) MAPK1ALDH1A1LMNATHRBSMN1; SMN2
SCHEMBL9218977 0.76 NPC1 (0.49) ALDH1A1LMNARAB9A
SCHEMBL9214551 0.76 KMT2A (0.53) THRBSMN1; SMN2RAB9A
SCHEMBL9214502 0.75 KMT2A (0.61) ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL9216685 0.74 TSHR (0.62) ALDH1A1LMNASMN1; SMN2RAB9A

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