SCHEMBL28451614

SCHEMBL28451614

Fc1cccc(-c2cccc3c2Cc2ccccc2-3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.49
HTR1A P08908 2/20 0.49
PNMT P11086 1/20 0.45
KDR P35968 2/20 0.42
ACHE P22303 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TAAR1 Q96RJ0 1/20 0.38
ESR2 Q92731 1/20 0.38
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
PDK2 Q15119 1/20 0.37
HTR2B P41595 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL28851607 0.87 PNMT (0.52) HTR7PNMTKDRNPC1RAB9A
SCHEMBL27375940 0.82 PNMT (0.47) HTR7HTR1APNMTKDRACHE
SCHEMBL70992 0.81 PNMT (0.53) HTR7HTR1APNMTKDRNPC1
SCHEMBL29809707 0.81 PNMT (0.53) HTR7HTR1APNMTKDRNPC1
SCHEMBL29401802 0.81 PNMT (0.53) HTR7HTR1APNMTKDRNPC1
Bromide SCHEMBL15404509 0.80 PNMT (0.52) HTR7HTR1APNMTKDRNPC1
SCHEMBL27718430 0.80 PNMT (0.52) HTR7HTR1APNMTKDRNPC1
SCHEMBL28946045 0.79 PNMT (0.45) PNMTKDRNPC1RAB9AADORA2A
SCHEMBL6138423 0.79 MAPT (0.53) HTR7PNMTACHENPC1RAB9A
SCHEMBL28483615 0.79 TDP2 (0.49) HTR7PNMTKDRNPC1RAB9A

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-111607082-A Preparation method of polyimide film with low thermal expansion coefficient 北京大学 2020-09-01 CN disclosed