SCHEMBL30183038

SCHEMBL30183038

CC(C)(C)c1cc(C(N)(N)c2ccccc2)c(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.38
TAAR1 Q96RJ0 2/20 0.36
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ALOX15 P16050 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
SCHEMBL30183271 0.78 CA2 (0.40) KCNN4TAAR1MAPK1MAPTKMT2A
SCHEMBL4461656 0.71 BACE1 (0.37) KMT2AALDH1A1TSHRTDP1ESR2
SCHEMBL9809886 0.71 ALDH1A1 (0.34) MAPTKMT2AALDH1A1TSHRTDP1
SCHEMBL27787249 0.69 MEN1 (0.49) MAPTKMT2AALDH1A1TSHRTDP1
SCHEMBL5240821 0.68 BACE1 (0.34) KMT2AALDH1A1TSHRTDP1CYP1A2
SCHEMBL1071427 0.68 BACE1 (0.34) KMT2AALDH1A1TSHRTDP1CYP1A2
SCHEMBL7565909 0.67 TSHR (0.39) KCNN4TAAR1MAPK1MAPTKMT2A
SCHEMBL27947103 0.65 KCNN4 (0.69) KCNN4TAAR1MAPK1MAPTKMT2A
SCHEMBL15366 0.65 KCNN4 (0.69) KCNN4TAAR1MAPK1MAPTKMT2A
SCHEMBL2780246 0.64 KCNN4 (0.46) KCNN4TAAR1MAPK1MAPTKMT2A

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-110352272-B Non-woven fabric 住友化学株式会社 2023-01-06 CN disclosed