SCHEMBL10429291

SCHEMBL10429291

CNc1c(Br)cc(C#N)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.52
▸ ALB P02768 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HTT P42858 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ GPR35 Q9HC97 1/20 0.31
▸ CXCR2 P25025 1/20 0.30
▸ VCAM1 P19320 1/20 0.30

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
SCHEMBL24418452 0.74 TTR (0.38) TTRALBMEN1KMT2ALOXL2
SCHEMBL28384865 0.74 TTR (0.38) TTRALBMEN1KMT2ALOXL2
SCHEMBL24129430 0.73 TTR (0.58) TTRALBMEN1KMT2AHTT
SCHEMBL10429296 0.73 TTR (0.37) TTRALBLOXL2GPR35VCAM1
SCHEMBL19354876 0.73 TTR (0.37) TTRALBMEN1KMT2ALOXL2
SCHEMBL13135634 0.72 CXCR2 (0.42) TTRALBMEN1KMT2AHTT
SCHEMBL17742291 0.70 ALDH1A1 (0.45) ALDH1A1KDM4E
SCHEMBL28438701 0.70 TTR (0.61) TTRALBMEN1KMT2AHTT
SCHEMBL2912546 0.70 KMT2A (0.48) TTRALBMEN1KMT2AHTT
SCHEMBL4410714 0.70 TTR (0.39) TTRALBMEN1KMT2ALOXL2

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
US-4900859-A Process for 4-dimethylamino-3,5-dimethoxybenzaldehyde HOFFMAN-LA ROCHE INC. (US) 1990-02-13 — — US claimed
US-4900859-A Process for 4-dimethylamino-3,5-dimethoxybenzaldehyde HOFFMAN-LA ROCHE INC. (US) 1990-02-13 — — US disclosed
EP-0318826-A2 Process for the preparation of 4-dimethylamino-3,5-dimethoxybenzaldehyde F. HOFFMANN-LA ROCHE AG (CH) 1989-06-07 — — EP disclosed
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