SCHEMBL9701958

SCHEMBL9701958

C=C=C(CN)c1cccc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
CTSD P07339 1/20 0.38

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
SCHEMBL9701649 0.85 CTSD (0.49) NPC1HPGDALDH1A1GAAHTT
SCHEMBL9703267 0.80 CA12 (0.44) HPGDALDH1A1GAAHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL4670042 0.74 RAB9A (0.52) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL11110232 0.73 KMT2A (0.49) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL7441345 0.73 KMT2A (0.45) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL9702788 0.73 TAAR1 (0.42) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL9701879 0.72 MAPT (0.47) KMT2AMEN1HPGDPOLBALDH1A1
SCHEMBL9702039 0.72 SMN1; SMN2 (0.47) KMT2AMEN1L3MBTL1POLBALDH1A1
SCHEMBL9701621 0.72 ALDH1A1 (0.57) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL3863254 0.72 KMT2A (0.58) KMT2AMEN1NPC1RAB9AHPGD

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