SCHEMBL11265397

SCHEMBL11265397

CCCN(CCOC(C)=O)CCOC(=O)c1cc(Br)c(N)c(CN(CC)C2CCCCC2)c1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ CHRM2 P08172 3/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL11263886 0.96 TP53 (0.33) TP53ALDH1A1LMNATSHRCHRM2
SCHEMBL11261141 0.96 TP53 (0.36) TP53ALDH1A1LMNATSHRCHRM2
Hydrochloric Acid SCHEMBL11270834 0.95 LMNA (0.36) TP53ALDH1A1LMNATSHRCHRM2
SCHEMBL11261826 0.94 TSHR (0.36) TP53ALDH1A1LMNATSHRCHRM2
SCHEMBL11262419 0.94 MEN1 (0.33) TP53ALDH1A1LMNACYP3A4KCNH2
SCHEMBL11252916 0.94 MEN1 (0.33) TP53ALDH1A1LMNACYP3A4KCNH2
SCHEMBL11257397 0.93 ABCB11 (0.32) TP53ALDH1A1LMNATSHRCYP3A4
SCHEMBL11255797 0.93 KMT2A (0.32) TP53ALDH1A1LMNACYP3A4KCNH2
SCHEMBL11266996 0.93 TP53 (0.32) TP53ALDH1A1LMNACYP3A4KCNH2
SCHEMBL11262177 0.93 TP53 (0.32) TP53ALDH1A1LMNACYP3A4KCNH2

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
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
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