SCHEMBL25518005

SCHEMBL25518005

C=Cc1cc(SC)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 4/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.32
POLB P06746 2/20 0.32
BLM P54132 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
CYP1A1 P04798 3/20 0.32
CYP1B1 Q16678 3/20 0.32

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
SCHEMBL19627549 0.83 ALDH1A1 (0.37) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL3968110 0.79 ALDH1A1 (0.48) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL16310081 0.78 ALDH1A1 (0.33) ALDH1A1CYP1A2MCL1CYP1A1CYP1B1
SCHEMBL20684520 0.74 MAOA (0.34) ALDH1A1KDM4EPOLB
SCHEMBL27293211 0.73 ALDH1A1 (0.43) MAPTALDH1A1HPGDKDM4ETSHR
SCHEMBL87447 0.73 ALOX5 (0.47) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL29392003 0.73 ALOX5 (0.47) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL8442226 0.72 MAPT (0.50) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL41439 0.71 TDP1 (0.46) MAPTALDH1A1KDM4ETSHRRAB9A
SCHEMBL29651844 0.71 TDP1 (0.46) MAPTALDH1A1KDM4ETSHRRAB9A

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
EP-4393924-A1 IMIDAZO [1,2-A] PYRAZINE OR PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVE AND USE THEREOF Tencent Technology (Shenzhen) Company Limited (CN) 2024-07-03 EP disclosed
EP-3728280-B1 METHOD FOR IMPROVING THE ORAL BIOAVAILABILITY OF A DRUG PHARMACYTICS B V (NL) 2023-06-28 EP disclosed