SCHEMBL18639384

SCHEMBL18639384

C=C/C=C\C(=C/C)NCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 4/20 0.47
▸ RAB9A P51151 4/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ HTT P42858 1/20 0.42

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
SCHEMBL20143351 0.75 NPC1 (0.46) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20197335 0.75 RAB9A (0.38) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9246865 0.73 CHRM2 (0.44) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19882438 0.73 CHRM2 (0.41) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1196329 0.72 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL26046875 0.72 KMT2A (0.33) SMN1; SMN2KMT2AGAA
SCHEMBL14068359 0.72 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL24103475 0.71 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10193856 0.71 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30448897 0.71 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A

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-2764053-B1 IRON(II) CONTAINING COMPLEX AND CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING (US) 2017-03-15 — — EP disclosed
Send feedback