SCHEMBL11434766

SCHEMBL11434766

O=C(CCCl)N(c1ccccc1)[C@@H]1CC(Cl)C[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MITF O75030 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ LMNA P02545 3/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ OPRD1 P41143 4/20 0.36
▸ OPRM1 P35372 3/20 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
SCHEMBL11436223 1.00 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2MITFMEN1
SCHEMBL11434896 0.88 TP53 (0.47) ALDH1A1KMT2ASMN1; SMN2MITFMEN1
SCHEMBL11454717 0.87 KMT2A (0.43) ALDH1A1KMT2ASMN1; SMN2MITFMEN1
SCHEMBL11465272 0.87 KMT2A (0.43) ALDH1A1KMT2ASMN1; SMN2MITFMEN1
SCHEMBL11331252 0.87 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2MITFMEN1
SCHEMBL11436728 0.86 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2MITFMEN1
SCHEMBL11465725 0.85 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2MITFMEN1
SCHEMBL11446840 0.85 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2MITFMEN1
SCHEMBL11447829 0.85 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2MITFMEN1
Oxalic Acid SCHEMBL11447368 0.83 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2MITFMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US claimed
US-4217362-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-08-12 — — US disclosed
US-4212888-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-07-15 — — US disclosed
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US disclosed
Send feedback