SCHEMBL8447429

SCHEMBL8447429

CC(C)(NC(=O)CCCCn1ccnc1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PKM P14618 1/20 0.50
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
TBXAS1 P24557 5/20 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
SCHEMBL8444531 0.99 SMN1; SMN2 (0.52) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8446915 0.97 SMN1; SMN2 (0.54) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8444481 0.92 SMN1; SMN2 (0.50) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8949380 0.81 ALDH1A1 (0.46) SMN1; SMN2LMNAALDH1A1TBXAS1
SCHEMBL8444094 0.80 TP53 (0.52) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8446124 0.79 ALDH1A1 (0.51) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8445868 0.79 ALDH1A1 (0.51) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8443962 0.78 LMNA (0.56) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8445965 0.78 CYP26A1 (0.47) SMN1; SMN2LMNAALDH1A1TBXAS1
SCHEMBL8444483 0.78 SMN1; SMN2 (0.48) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed
CN-1037511-C Therapeutic agents BOOTS CO PLC (GB) 1998-02-25 CN disclosed
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