SCHEMBL8949623

SCHEMBL8949623

Cc1ccc(C(C)(C)NC(=O)CCn2ccnc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
NPC1 O15118 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
FDPS P14324 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
HPGD P15428 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL8444630 0.90 KMT2A (0.50) KMT2AALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL8949380 0.78 ALDH1A1 (0.46) KMT2AALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL8444627 0.75 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2FLT1KDR
SCHEMBL8949347 0.75 CA12 (0.49) KMT2AALDH1A1SMN1; SMN2KDM4EHTT
Hydrochloric Acid SCHEMBL8949222 0.74 CA12 (0.48) KMT2AALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL4410767 0.74 KMT2A (0.63) KMT2AALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL8447413 0.71 POLB (0.43) KMT2AALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL8445933 0.70 HPGD (0.49) KMT2AALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL992745 0.70 SMN1; SMN2 (0.61) KMT2AALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL4298077 0.70 KMT2A (0.57) KMT2AALDH1A1SMN1; SMN2KDM4EHTT

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 disclosed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP 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