SCHEMBL21765843

SCHEMBL21765843

O=C(CNCCSc1ccccc1)NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPC1 O15118 6/20 0.50
▸ MTNR1A P48039 1/20 0.50
▸ MTNR1B P49286 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HPGD P15428 5/20 0.45
▸ NFKB1 P19838 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL974918 0.92 SIRT2 (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
Ammonia Solution, Strong SCHEMBL7894551 0.91 SIRT2 (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL5965491 0.86 SIRT2 (0.44) RAB9ANPC1SMN1; SMN2HPGDSIRT2
SCHEMBL29032265 0.85 SIRT2 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL18175275 0.85 SIRT2 (0.43) RAB9ANPC1SMN1; SMN2HPGDSIRT2
SCHEMBL13555716 0.84 KIF11 (0.44) RAB9ANPC1LMNAHTTSMN1; SMN2
SCHEMBL13555842 0.84 SIRT2 (0.45) HPGDSIRT2
SCHEMBL19645877 0.83 TAAR1 (0.53) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
Hexanoate SCHEMBL8076130 0.80 HPGD (0.41) MEN1KMT2AHPGDSIRT2
SCHEMBL8499003 0.79 KIF11 (0.54) HPGD

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-3085390-B1 COMPOUND FOR BONE SCANNING AND USE THEREOF TAIWAN HOPAX CHEMS MFG CO LTD (TW) 2020-02-26 — — EP disclosed
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