SCHEMBL9737260

SCHEMBL9737260

Cc1ccc(C(C)C)c(OCCN2CCN(c3ccccc3C)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
TP53 P04637 4/20 0.57
MAPT P10636 1/20 0.57
TYMS P04818 1/20 0.53
NPSR1 Q6W5P4 3/20 0.53
LMNA P02545 3/20 0.53
GAA P10253 3/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR1A P08908 2/20 0.52
DRD2 P14416 2/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
ADRA1A P35348 2/20 0.52
TSHR P16473 4/20 0.51
POLB P06746 2/20 0.51
HTT P42858 1/20 0.51
ADRB2 P07550 1/20 0.50

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 SCHEMBL9737254 0.99 ATM (0.62) ATMKMT2AMEN1TP53MAPT
SCHEMBL9736429 0.90 KMT2A (0.59) ATMKMT2AMEN1TP53MAPT
Hydrochloric Acid SCHEMBL9738328 0.89 ATM (0.61) ATMKMT2AMEN1TP53MAPT
SCHEMBL9736125 0.89 TP53 (0.71) ATMKMT2AMEN1TP53MAPT
SCHEMBL9737269 0.89 HTR2A (0.64) ATMKMT2AMEN1TP53MAPT
SCHEMBL9737194 0.89 MEN1 (0.58) ATMKMT2AMEN1TP53MAPT
Hydrochloric Acid SCHEMBL9736750 0.88 MEN1 (0.60) ATMKMT2AMEN1TP53MAPT
Hydrochloric Acid SCHEMBL9736746 0.88 MEN1 (0.60) ATMKMT2AMEN1TP53MAPT
Hydrochloric Acid SCHEMBL9736732 0.88 HTR2A (0.66) ATMKMT2AMEN1TP53MAPT
Hydrochloric Acid SCHEMBL9737957 0.88 TP53 (0.70) ATMKMT2AMEN1TP53MAPT

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