SCHEMBL30211809

SCHEMBL30211809

NC(=O)CSc1nc(-c2nnn[nH]2)cs1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.38
NPC1 O15118 6/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 9/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL14820155 0.75 HTR1A (0.31)
SCHEMBL10334519 0.75 CYP3A4 (0.35) CYP3A4CYP2C9
SCHEMBL18484525 0.71
SCHEMBL18487515 0.71
SCHEMBL3170197 0.70 POLB (0.57) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL2177739 0.69 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL10989704 0.67 RAB9A (0.40) RAB9ASMN1; SMN2ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL30211804 0.67 MEN1 (0.43) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL11520651 0.62 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL27557283 0.61 CA2 (0.46) NPSR1THRB

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-115697334-A Methods of improving retinal related disease outcomes using CCR3 inhibitors 万能溶剂有限公司 2023-02-03 CN disclosed