SCHEMBL28875337

SCHEMBL28875337

c1ccc(-c2ccc(-c3nnc(-c4cccc(-c5cccc(-c6nnc(-c7ccc(-c8ccccc8)cc7)o6)n5)n4)o3)cc2)cc1.c1ccc(-c2cccc(-c3nnc(-c4cccc(-c5nnc(-c6cccc(-c7ccccn7)n6)o5)c4)o3)n2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.50
SMN1; SMN2 Q16637 9/20 0.50
TP53 P04637 5/20 0.50
TSHR P16473 4/20 0.50
HPGD P15428 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
ALOX15 P16050 2/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PKM P14618 2/20 0.50
ALPL P05186 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
MAPK1 P28482 1/20 0.50
CCR1 P32246 1/20 0.50
HTT P42858 1/20 0.50
CCR5 P51681 1/20 0.50

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
SCHEMBL367895 0.94 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2TP53TSHRHPGD
SCHEMBL29756481 0.94 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2TP53TSHRHPGD
SCHEMBL29398228 0.94 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2TP53TSHRHPGD
SCHEMBL2202802 0.94 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2TP53TSHRHPGD
SCHEMBL29244073 0.93 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2TP53TSHRHPGD
SCHEMBL17320277 0.92 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2TP53TSHRHPGD
SCHEMBL2197485 0.91 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2TP53TSHRHPGD
SCHEMBL2198833 0.89 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2TP53TSHRHPGD
SCHEMBL22734893 0.87 RAB9A (0.54) RAB9ASMN1; SMN2TP53TSHRHPGD
SCHEMBL29809334 0.87 RAB9A (0.54) RAB9ASMN1; SMN2TP53TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118284274-A Charge-transporting varnish 日产化学株式会社 2024-07-02 CN disclosed
CN-116193960-A Aniline derivatives and use thereof 日产化学工业株式会社 2023-05-30 CN disclosed
CN-108884016-B Arylamine derivatives and use thereof 日产化学株式会社 2022-11-01 CN disclosed