SCHEMBL22811770

SCHEMBL22811770

CC(=O)N1c2ccc(Br)c(OC34CC3C4)c2CC[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ RAPGEF3 O95398 3/20 0.32
▸ RAPGEF4 Q8WZA2 2/20 0.32
▸ BRD4 O60885 10/20 0.32
▸ CREBBP Q92793 9/20 0.32

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
SCHEMBL16729496 0.82 NOTUM (0.36) NOTUMMEN1KMT2AKDM4EGAA
SCHEMBL17004899 0.82 NOTUM (0.36) NOTUMMEN1KMT2AKDM4EGAA
SCHEMBL17004914 0.79 ALDH1A1 (0.34) NOTUMMEN1KMT2AMAPTPDK1
SCHEMBL16717135 0.79 BRD4 (0.43) NOTUMMEN1KMT2ABRD4CREBBP
SCHEMBL16729497 0.79 ALDH1A1 (0.34) NOTUMMEN1KMT2AMAPTPDK1
SCHEMBL16717179 0.77 KDM4E (0.41) NOTUMMEN1KMT2AKDM4EGAA
SCHEMBL17004951 0.77 KDM4E (0.41) NOTUMMEN1KMT2AKDM4EGAA
SCHEMBL16717376 0.77 BRD4 (0.35) NOTUMBRD4CREBBP
SCHEMBL16717155 0.76 BRD4 (0.38) MEN1KMT2ABRD4CREBBP
SCHEMBL16717157 0.76 BRD4 (0.38) MEN1KMT2ABRD4CREBBP

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-3071203-B1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-12-23 — — EP disclosed
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