SCHEMBL28533908

SCHEMBL28533908

C[C@@H]1Cc2ccccc2N[C@@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
BRD4 O60885 4/20 0.45
CREBBP Q92793 2/20 0.45
P2RX7 Q99572 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
NLRP3 Q96P20 1/20 0.38
PRCP P42785 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 1/20 0.36
CHRNA7 P36544 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL28270077 1.00 GAA (0.46) GAAMAPTBRD4CREBBPP2RX7
SCHEMBL13306140 1.00 GAA (0.46) GAAMAPTBRD4CREBBPP2RX7
SCHEMBL28531806 0.88 BRD4 (0.41) GAAMAPTBRD4CREBBPP2RX7
SCHEMBL28531468 0.87 BRD4 (0.41) GAAMAPTBRD4CREBBPP2RX7
SCHEMBL28531526 0.87 MAPT (0.45) GAAMAPTBRD4CREBBPP2RX7
SCHEMBL28534480 0.87 BRD4 (0.41) GAAMAPTBRD4CREBBPP2RX7
SCHEMBL28531458 0.84 GID4 (0.43) GAAMAPTBRD4CREBBPSMN1; SMN2
SCHEMBL28546485 0.83 KIF11 (0.44) GAABRD4CREBBPP2RX7SMN1; SMN2
SCHEMBL28532455 0.83 HTR2A (0.41) BRD4CREBBPP2RX7
SCHEMBL28542217 0.82 KIF11 (0.46) GAAMAPTP2RX7MEN1KMT2A

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
CN-119425803-A Multicomponent composite chiral catalyst system and preparation and application thereof 中国科学院大连化学物理研究所 2025-02-14 CN disclosed
CN-112521333-A Synthesis method of chiral 2, 3-disubstituted tetrahydroquinoline derivative 中国科学院大连化学物理研究所 2021-03-19 CN disclosed