SCHEMBL9520071

SCHEMBL9520071

CCOCCn1c(CCCCCN(C)C)nc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
TSHR P16473 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.51
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRM1 P11229 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL9520171 0.99 ALDH1A1 (0.72) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9518803 0.95 ALDH1A1 (0.74) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9518762 0.90 ALDH1A1 (0.70) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9247091 0.89 ALDH1A1 (0.68) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9519885 0.85 ALDH1A1 (0.72) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL7960637 0.83 LMNA (0.57) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL7973675 0.83 LMNA (0.57) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL7960503 0.83 LMNA (0.57) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL7960627 0.83 LMNA (0.57) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL7960449 0.83 LMNA (0.57) MEN1KMT2ASMN1; SMN2LMNAMAPT

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
EP-0350467-B1 Pharmacologically active benzimidazole derivatives DOMPE FARMACEUTICI SPA (IT) 1993-12-29 EP disclosed
US-4971980-A ANTIHISTAMINES DOMPE FARMACEUTICI S.P.A. (IT) 1990-11-20 US disclosed