SCHEMBL21613703

SCHEMBL21613703

CC1CCN(C2CCN(Sc3ccccc3Br)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ L3MBTL3 Q96JM7 2/20 0.38
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ DHCR7 Q9UBM7 3/20 0.36
▸ EBP Q15125 2/20 0.36
▸ SLC18A3 Q16572 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL21613735 0.81 ACHE (0.45) KDM4EALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL21613752 0.81 KDM4E (0.41) KDM4EL3MBTL1ALDH1A1L3MBTL3CYP2D6
SCHEMBL21613744 0.79 KDM4E (0.45) KDM4EL3MBTL1ALDH1A1L3MBTL3CYP2D6
SCHEMBL20627169 0.78 L3MBTL1 (0.46) KDM4EL3MBTL1ALDH1A1TSHRRECQL
SCHEMBL22080875 0.78 EBP (0.48) KDM4EALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL21613808 0.77 DHCR7 (0.39) KDM4ETSHRCYP2D6DHCR7EBP
SCHEMBL26004529 0.77 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1TSHRL3MBTL3
SCHEMBL21613801 0.77 RAB9A (0.41) KDM4EL3MBTL1RECQLL3MBTL3CYP2D6
SCHEMBL20627070 0.75 LMNA (0.40) L3MBTL3CYP2D6CYP2C19LMNA
SCHEMBL20627361 0.75 MAOB (0.36) CYP2D6LMNAPOLBPKM

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
WO-2020117972-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-06-11 — — WO disclosed
EP-3044218-B1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS UNIV TEXAS (US) 2020-05-27 — — EP disclosed
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