SCHEMBL7902801

SCHEMBL7902801

Cc1nc2c(cc1C(=O)O)C(Cl)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 3/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ACHE P22303 7/20 0.35
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL7912940 0.83 ACHE (0.53) ALDH1A1SMN1; SMN2KMT2AACHERAB9A
SCHEMBL7911358 0.80 SLC9A1 (0.38) SLC9A1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL7911273 0.75 ALDH1A1 (0.33) SLC9A1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8132478 0.74 SLC9A1 (0.62) SLC9A1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL7910295 0.73 SLC9A1 (0.65) SLC9A1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL7916736 0.69 ACHE (0.51) ALDH1A1SMN1; SMN2KMT2AACHERAB9A
SCHEMBL8136170 0.68 SLC9A1 (0.39) SLC9A1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL927447 0.66 SLC9A1 (0.39) SLC9A1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL70795 0.65 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL5556431 0.65 SLC9A1 (0.40) SLC9A1MAPTALDH1A1LMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 EP disclosed