SCHEMBL11647662

SCHEMBL11647662

Oc1cc(CNC2CCCC(O)C2)c(Br)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.49
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ALOX15 P16050 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37

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
SCHEMBL11647657 1.00 PABPC1 (0.49) PABPC1MEN1KMT2AMAPTCYP1A2
SCHEMBL11648594 0.82 CYP1A2 (0.57) PABPC1MEN1KMT2AMAPTCYP1A2
SCHEMBL11648597 0.82 CYP1A2 (0.57) PABPC1MEN1KMT2AMAPTCYP1A2
SCHEMBL11653946 0.82 PABPC1 (0.41) PABPC1MEN1KMT2AMAPTCYP1A2
SCHEMBL11653944 0.82 PABPC1 (0.41) PABPC1MEN1KMT2AMAPTCYP1A2
SCHEMBL11592566 0.80 CYP2D6 (0.51) PABPC1MEN1KMT2AMAPTCYP1A2
SCHEMBL11646302 0.80 PABPC1 (0.48) PABPC1MEN1KMT2AMAPTCYP1A2
SCHEMBL11592561 0.80 CYP2D6 (0.51) PABPC1MEN1KMT2AMAPTCYP1A2
SCHEMBL11647910 0.80 BACE1 (0.41) PABPC1ALDH1A1SLC2A1
SCHEMBL11646307 0.80 PABPC1 (0.48) PABPC1MEN1KMT2AMAPTCYP1A2

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
US-4073942-A Halo-substituted hydroxybenzyl-amines as secretolytic agents BOEHRINGER INGELHEIM GMBH (DT) 1978-02-14 — — US disclosed
Send feedback