SCHEMBL9701919

SCHEMBL9701919

C=C=C(CN)COc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
SENP2 Q9HC62 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL9701657 0.81 AOC2 (0.55) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL9700908 0.78 HTR1B (0.57) MEN1KMT2ASMN1; SMN2TDP1MAPT
SCHEMBL9702021 0.76 MAOB (0.50) MEN1KMT2A
SCHEMBL9702766 0.73 MAOB (0.44) POLBRAB9ASMN1; SMN2MAPTHPGD
SCHEMBL9702039 0.73 SMN1; SMN2 (0.47) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL1032880 0.71 KDM4E (0.68) MEN1KMT2ARAB9ASMN1; SMN2TDP1
SCHEMBL3505391 0.71 AOC2 (0.68) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL5570337 0.70 L3MBTL1 (0.48) MEN1KMT2ARAB9ASMN1; SMN2TDP1
SCHEMBL4093120 0.70 WDR5 (0.50) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL1032879 0.70 KDM4E (0.61) MEN1KMT2APOLBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120764-A Administering penicillamine and allenylamines to inhibit crosslinking of collagen MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-09 US disclosed
EP-0374440-A2 Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-27 EP disclosed