SCHEMBL31722798

SCHEMBL31722798

CC(C)(C)c1ccc(Br)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTR6 P50406 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ APAF1 O14727 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 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
SCHEMBL11891531 1.00 RXFP1 (0.40) RXFP1ALDH1A1TSHRTDP1KIF11
SCHEMBL11891550 0.86 CA2 (0.44) RXFP1ALDH1A1TSHRTDP1KIF11
SCHEMBL5517816 0.85 ALDH1A1 (0.48) ALDH1A1TSHRTDP1KIF11CA2
SCHEMBL15538116 0.83 RXFP1 (0.42) RXFP1ALDH1A1PKMHTR6MAPK10
SCHEMBL20428915 0.79 KCNJ11 (0.37) RXFP1ALDH1A1PKMHTR6MAPK10
SCHEMBL28905011 0.79 PKM (0.37) RXFP1ALDH1A1PKMHTR6MAPK10
SCHEMBL29406198 0.78 CA2 (0.37) ALDH1A1TSHRTDP1KIF11CA2
SCHEMBL19638278 0.78 CA2 (0.37) ALDH1A1TSHRTDP1KIF11CA2
SCHEMBL28805148 0.78 RXFP1 (0.46) RXFP1ALDH1A1PKMHTR6MAPK10
SCHEMBL19284577 0.77 IDO1 (0.38) RXFP1ALDH1A1TSHRTDP1KIF11

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-120904008-A Preparation method of 1-bromo-4- (tert-butyl) naphthalene 奥盖尼克材料(苏州)有限公司 2025-11-07 — — CN disclosed
CN-120904008-A Preparation method of 1-bromo-4- (tert-butyl) naphthalene 奥盖尼克材料(苏州)有限公司 2025-11-07 — — CN disclosed
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