SCHEMBL13679582

SCHEMBL13679582

O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ NR2E3 Q9Y5X4 2/20 0.60
▸ FOXO1 Q12778 1/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ PDPK1 O15530 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL15557123 0.88 TP53 (0.57) TP53RXFP1NR2E3KMT2AKDM4E
SCHEMBL13679597 0.86 PDPK1 (0.65) TP53RXFP1KMT2AKDM4EMAPT
SCHEMBL13679710 0.84 TP53 (0.67) TP53RXFP1KMT2AKDM4EMAPT
SCHEMBL13679549 0.82 LDLR (0.78) TP53RXFP1KMT2AKDM4EMAPT
SCHEMBL27202465 0.81 NPC1 (0.71) TP53NR2E3FOXO1KMT2AKDM4E
SCHEMBL13679581 0.81 MEN1 (0.69) TP53RXFP1KMT2AKDM4EMAPT
SCHEMBL13679608 0.80 TP53 (0.55) TP53RXFP1KMT2AKDM4EMAPT
SCHEMBL13679609 0.80 TP53 (0.68) TP53RXFP1KMT2AKDM4EMAPT
SCHEMBL24049711 0.78 KDM4E (0.79) TP53NR2E3FOXO1KMT2AKDM4E
SCHEMBL26552131 0.78 KDM4E (0.79) TP53NR2E3FOXO1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772275-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2014-07-08 — — US disclosed
US-8354397-B2 Controlling cell differentiation, cell proliferation; anticancer agents CURIS, INC. (US) 2013-01-15 — — US disclosed
EP-1482928-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS,COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2009-09-23 — — EP disclosed
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