SCHEMBL9702223

SCHEMBL9702223

C=C=C(CN)c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
TSHR P16473 4/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
HMGB1 P09429 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 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
SCHEMBL9700880 0.85 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTSHRMAPT
SCHEMBL16891415 0.80 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTSHRMAPT
SCHEMBL9701867 0.78 CA2 (0.37) KDM4EALDH1A1HPGDTSHRMAPT
SCHEMBL9702172 0.77 ALDH1A1 (0.46) ALDH1A1TSHRMAPTSMN1; SMN2CA12
SCHEMBL9702758 0.72 HDAC1 (0.38) KDM4EHPGDTSHRMAPTHSD17B10
SCHEMBL5495294 0.72 HPGD (0.46) KDM4EALDH1A1HPGDTSHRMAPT
SCHEMBL9014128 0.71 CA1 (0.39) KDM4EALDH1A1HPGDTSHRMAPT
SCHEMBL29056070 0.70 HPGD (0.35) KDM4EALDH1A1HPGDTSHRMAPT
SCHEMBL12812548 0.68 KMT2A (0.50) KDM4EALDH1A1HPGDTSHRMAPT
SCHEMBL22791309 0.68 KDM4E (0.46) KDM4EALDH1A1HPGDTSHRMAPT

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