SCHEMBL18973762

SCHEMBL18973762

CNc1ccc(-c2nc3cc(NCCN(C)C)ccc3[nH]2)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ ACHE P22303 3/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ NCF1 P14598 1/20 0.36
▸ HDAC2 Q92769 1/20 0.35
▸ PIM1 P11309 2/20 0.34
▸ PIM3 Q86V86 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ NOS1 P29475 1/20 0.34

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
SCHEMBL14906667 0.89 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL18973764 0.80 ACHE (0.55) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14906664 0.80 KMT2A (0.42) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL21017252 0.80 KDM4E (0.54) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL14892370 0.76 NPC1 (0.49) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL12289543 0.74 CBFB (0.50) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL30343725 0.74 NPBWR1 (0.50) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL19994514 0.74 NPBWR1 (0.50) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL14892594 0.74 ALDH1A1 (0.43) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL20001628 0.73 KDM4E (0.47) KDM4ENPC1RAB9ASMN1; SMN2POLB

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
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 — — EP disclosed
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