SCHEMBL27361572

SCHEMBL27361572

NC(=S)N(CCc1ccccc1F)c1nc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
AOC3 Q16853 1/20 0.40
POLB P06746 3/20 0.39
TAAR1 Q96RJ0 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL27359800 0.86 MEN1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL27363564 0.86 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL27360419 0.84 LMNA (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL27380600 0.83 RAB9A (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL27359801 0.83 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL27379175 0.81 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL27528686 0.81 MAPT (0.40) RAB9ANPC1SMN1; SMN2LMNACYP1A2
SCHEMBL27363569 0.80 LMNA (0.36) RAB9AALDH1A1HPGDLMNACYP1A2
SCHEMBL27400434 0.79 KDM4E (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL27379146 0.78 LMNA (0.44) RAB9ANPC1SMN1; SMN2LMNACYP1A2

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
CN-1069882-A The Compounds and methods for that suppresses HIV and correlated virus MEDIVIR AB (CH) 1993-03-17 CN disclosed