SCHEMBL9740898

SCHEMBL9740898

Cc1ccc(C(C)C)c(OCCN2CCN(c3cc(Cl)ccc3C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ATM Q13315 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ADRB2 P07550 1/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 4/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA1B P35368 1/20 0.44
POLB P06746 1/20 0.44

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
Hydrochloric Acid SCHEMBL9740988 0.99 ATM (0.53) ALDH1A1ATMMEN1KMT2AADRB2
SCHEMBL9741672 0.92 ATM (0.52) ALDH1A1ATMMEN1KMT2AADRB2
SCHEMBL9737260 0.86 ATM (0.60) ALDH1A1ATMMEN1KMT2AADRB2
SCHEMBL9737314 0.86 ATM (0.54) ALDH1A1ATMMEN1KMT2AADRB2
SCHEMBL9736429 0.85 KMT2A (0.59) ALDH1A1ATMMEN1KMT2AADRB2
Hydrochloric Acid SCHEMBL9737100 0.85 ATM (0.56) ALDH1A1ATMMEN1KMT2AADRB2
Hydrochloric Acid SCHEMBL9737254 0.85 ATM (0.62) ALDH1A1ATMMEN1KMT2AADRB2
Hydrochloric Acid SCHEMBL9738328 0.84 ATM (0.61) ALDH1A1ATMMEN1KMT2AADRB2
SCHEMBL9740908 0.83 HTT (0.67) ALDH1A1MAPTTP53SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL9741004 0.82 HTT (0.65) ALDH1A1MAPTTP53SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110816-A Urogenital disorders INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) (FR) 1992-05-05 US disclosed