SCHEMBL8949449

SCHEMBL8949449

Cc1ccc(C(C)(C)NCCCn2ccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
QPCT Q16769 3/20 0.55
KMT2A Q03164 3/20 0.52
PRKCI P41743 1/20 0.51
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 3/20 0.47
CYP19A1 P11511 2/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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 SCHEMBL8949432 0.99 ALDH1A1 (0.55) ALDH1A1QPCTKMT2APRKCIMEN1
SCHEMBL8443962 0.88 LMNA (0.56) ALDH1A1QPCTKMT2AMEN1POLB
SCHEMBL7879569 0.88 QPCT (0.49) ALDH1A1QPCTKMT2APRKCIMEN1
SCHEMBL13696720 0.88 CYP11B1 (0.55) ALDH1A1QPCTPRKCISMN1; SMN2CYP19A1
Hydrochloric Acid SCHEMBL2887150 0.87 LMNA (0.55) ALDH1A1QPCTKMT2AMEN1POLB
SCHEMBL8444382 0.86 GSK3A (0.48) ALDH1A1QPCTKMT2AMEN1POLB
SCHEMBL7873790 0.85 QPCT (0.46) ALDH1A1QPCTKMT2APRKCIMEN1
Hydrochloric Acid SCHEMBL8445872 0.85 ALDH1A1 (0.47) ALDH1A1QPCTKMT2AMEN1POLB
SCHEMBL8444094 0.84 TP53 (0.52) ALDH1A1QPCTKMT2APRKCIMEN1
SCHEMBL8949312 0.84 LMNA (0.48) ALDH1A1QPCTKMT2APRKCIMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US claimed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed