SCHEMBL19645877

SCHEMBL19645877

O=C(CNCCc1ccccc1)NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
KIF11 P52732 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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 0.90 SIRT2 (0.49) RAB9AKIF11HPGDALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL7894551 0.89 SIRT2 (0.48) TAAR1RAB9AKIF11HPGDALDH1A1
SCHEMBL29032265 0.86 SIRT2 (0.43) TAAR1RAB9AKIF11HPGDALDH1A1
SCHEMBL13555716 0.85 KIF11 (0.44) RAB9AKIF11L3MBTL1HPGDSMN1; SMN2
SCHEMBL5965491 0.84 SIRT2 (0.44) RAB9AKIF11HDAC1HDAC2HPGD
SCHEMBL18175275 0.83 SIRT2 (0.43) TAAR1RAB9AKIF11HPGDSMN1; SMN2
SCHEMBL21765843 0.83 RAB9A (0.51) MEN1KMT2ARAB9AHPGDALDH1A1
SCHEMBL13555842 0.83 SIRT2 (0.45) KIF11HDAC1HDAC2HPGDHDAC3
SCHEMBL770890 0.81 TAAR1 (0.73) TAAR1L3MBTL1EPHX2HDAC1HDAC2
SCHEMBL17245967 0.80 KIF11 (0.43) RAB9AKIF11HPGDALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828398-B2 Compound for bone scanning and use thereof TAIWAN HOPAX CHEMS. MFG. CO., LTD. (TW) 2017-11-28 US disclosed