SCHEMBL25028188

SCHEMBL25028188

N#Cc1ccc(-c2nc3sc(-c4ccc(C#N)s4)nc3s2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ TRPA1 O75762 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ AR P10275 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ INPPL1 O15357 1/20 0.32
▸ KCNH2 Q12809 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ CCNB2 O95067 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30

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
SCHEMBL26503081 0.96 PGR (0.37) PGRKDM1ATRPA1NR3C1AR
SCHEMBL23954389 0.80 HDAC8 (0.35) —
SCHEMBL25028291 0.78 APP (0.40) PGRKDM1ATRPA1NR3C1AR
SCHEMBL13074418 0.78 PGR (0.43) PGRKDM1ATRPA1NR3C1AR
SCHEMBL498595 0.75 PGR (0.42) PGRKDM1ATRPA1NR3C1AR
SCHEMBL26503260 0.73 AR (0.43) AR
SCHEMBL26503622 0.72 — —
SCHEMBL15220429 0.71 KDM1A (0.41) PGRKDM1ATRPA1NR3C1AR
SCHEMBL10301436 0.70 NPC1 (0.45) PGR
2,5-Thiophenedinitrile SCHEMBL996528 0.69 — —

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-20230132579-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2023-05-04 — — US disclosed
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 — — US disclosed
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