SCHEMBL11339668

SCHEMBL11339668

C=CCNC1CC(Cl)CCCC1N(C(=O)CCCl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MITF O75030 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PAX8 Q06710 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTR1A P08908 3/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ OPRD1 P41143 3/20 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
SCHEMBL11341461 1.00 KMT2A (0.40) KMT2AALDH1A1MEN1MITFSMN1; SMN2
SCHEMBL11570684 0.91 KMT2A (0.36) KMT2AALDH1A1MEN1MITFSMN1; SMN2
SCHEMBL11568723 0.91 KMT2A (0.36) KMT2AALDH1A1MEN1MITFSMN1; SMN2
SCHEMBL11346418 0.88 ALDH1A1 (0.35) KMT2AALDH1A1MEN1MITFSMN1; SMN2
SCHEMBL11551320 0.86 ALDH1A1 (0.43) KMT2AALDH1A1MEN1MITFSMN1; SMN2
SCHEMBL11548568 0.86 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MITFSMN1; SMN2
SCHEMBL11547947 0.86 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MITFSMN1; SMN2
SCHEMBL11331146 0.85 MEN1 (0.42) KMT2AALDH1A1MEN1MITFSMN1; SMN2
SCHEMBL11568726 0.82 BCL2A1 (0.33) KMT2AALDH1A1MEN1MITFSMN1; SMN2
SCHEMBL11346142 0.82 ALDH1A1 (0.41) KMT2AALDH1A1MEN1MITFSMN1; SMN2

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-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US claimed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US claimed
US-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US disclosed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US disclosed
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