SCHEMBL9872522

SCHEMBL9872522

Cc1cc(=O)[nH]c(SCc2ccccn2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
LMNA P02545 2/20 0.60
GLA P06280 1/20 0.60
KDM4E B2RXH2 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PKM P14618 1/20 0.60
POLB P06746 1/20 0.60
CYP1A2 P05177 4/20 0.58
CYP2E1 P05181 4/20 0.58
CYP2C8 P10632 4/20 0.58
CYP2D6 P10635 4/20 0.58
CYP2C9 P11712 4/20 0.58
CYP2B6 P20813 4/20 0.58
CYP2C19 P33261 4/20 0.58
CYP3A4 P08684 3/20 0.58
HPGD P15428 2/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL9870534 0.84 PSD (0.62) ALDH1A1L3MBTL1LMNAKDM4ESMN1; SMN2
SCHEMBL18063501 0.80 HPGD (0.73) ALDH1A1L3MBTL1LMNAKDM4ESMN1; SMN2
SCHEMBL9870231 0.78 LMNA (0.57) ALDH1A1L3MBTL1LMNAKDM4ESMN1; SMN2
SCHEMBL22639867 0.75 GLA (1.00) ALDH1A1L3MBTL1LMNAGLASMN1; SMN2
SCHEMBL16910517 0.74 L3MBTL1 (0.61) ALDH1A1L3MBTL1LMNASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL10560721 0.74 NPC1 (0.51) ALDH1A1L3MBTL1LMNAKDM4ESMN1; SMN2
SCHEMBL9838119 0.74 POLB (0.67) ALDH1A1L3MBTL1LMNAKDM4ESMN1; SMN2
SCHEMBL9671679 0.73 MAOB (0.68) ALDH1A1LMNAGLAKDM4ESMN1; SMN2
SCHEMBL11685278 0.73 CYP1A2 (0.68) ALDH1A1L3MBTL1LMNAGLAKDM4E
SCHEMBL6484258 0.73 CYP1A2 (0.61) ALDH1A1L3MBTL1LMNAGLAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037830-A Antisecretory-antiulcer agents RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1991-08-06 US disclosed
EP-0391254-A2 Novel thiouracil derivatives pharmaceutical compositions containing them and process for preparing same RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1990-10-10 EP disclosed