SCHEMBL9257375

SCHEMBL9257375

CCCCCCCCCCCCCCCCc1ccc2nc3c(c(Nc4ccc(F)cc4)c2c1)CCCC3

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
GFER P55789 1/20 0.56
SOS1 Q07889 1/20 0.55
ACHE P22303 14/20 0.55
BCHE P06276 7/20 0.52
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
RAD52 P43351 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL9256698 0.91 ACHE (0.65) ACHEBCHEKMT2ANPSR1
SCHEMBL9261176 0.91 ACHE (0.65) ACHEBCHEKMT2ANPSR1
SCHEMBL9252949 0.91 ACHE (0.65) ACHEBCHEKMT2ANPSR1
SCHEMBL9257120 0.88 ACHE (0.60) ACHEBCHE
SCHEMBL10699056 0.84 ACHE (0.60) ACHEBCHE
SCHEMBL9260330 0.82 ACHE (0.74) ACHEBCHE
SCHEMBL9259449 0.79 ACHE (0.69) HTTACHEBCHEKMT2A
SCHEMBL9255955 0.79 ACHE (0.69) HTTACHEBCHEKMT2A
Hydrochloric Acid SCHEMBL9261293 0.78 ACHE (0.68) HTTACHEBCHEKMT2A
Hydrochloric Acid SCHEMBL9261956 0.78 ACHE (0.68) HTTACHEBCHEKMT2A

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-5391553-A Increasing cholinergic functionin mammals HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-02-21 US claimed
US-5391553-A Increasing cholinergic functionin mammals HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-02-21 US disclosed