SCHEMBL22240503

SCHEMBL22240503

C[C@H](NC1=C(C=O)CCNC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PIM1 P11309 2/20 0.33
▸ PIM2 Q9P1W9 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL14847482 0.80 CYP2D6 (0.46) TAAR1POLBCYP2D6MEN1KMT2A
SCHEMBL12846428 0.80 CYP2D6 (0.46) TAAR1POLBCYP2D6MEN1KMT2A
SCHEMBL10169593 0.80 CYP2D6 (0.46) TAAR1POLBCYP2D6MEN1KMT2A
SCHEMBL20053566 0.75 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2HPGDTDP1
SCHEMBL3861132 0.72 MAPT (0.41) TAAR1POLBKMT2AALDH1A1HPGD
SCHEMBL22240437 0.71 ALOX5 (0.49) POLBKMT2AALDH1A1KDM4ETDP1
SCHEMBL8270258 0.71 ALOX5 (0.49) POLBKMT2AALDH1A1KDM4ETDP1
SCHEMBL20145796 0.71 ALOX5 (0.49) POLBKMT2AALDH1A1KDM4ETDP1
SCHEMBL13823414 0.70 SMN1; SMN2 (0.37) TAAR1POLBCYP2D6MEN1KMT2A
SCHEMBL6871392 0.63 CYP2D6 (0.50) TAAR1POLBCYP2D6MEN1KMT2A

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
EP-3385263-B1 PYRIMIDINYL TYROSINE KINASE INHIBITORS BIOGEN MA INC (US) 2020-07-22 — — EP disclosed
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