SCHEMBL7434360

SCHEMBL7434360

O=C(CN1CCC(NCC(O)C2COc3ccccc3O2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
DRD4 P21917 1/20 0.48
ALDH1A1 P00352 8/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.46
KDM4E B2RXH2 2/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
REV1 Q9UBZ9 2/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL7443888 0.93 POLB (0.48) POLBALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL7429340 0.92 POLB (0.49) POLBDRD4ALDH1A1TSHRKMT2A
SCHEMBL7447128 0.92 RAB9A (0.52) POLBALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL7439415 0.92 POLB (0.49) POLBALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL7435917 0.91 POLB (0.48) POLBDRD4ALDH1A1TSHRLMNA
SCHEMBL7428136 0.91 POLB (0.48) POLBALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL7430181 0.91 POLB (0.48) POLBDRD4ALDH1A1TSHRKMT2A
SCHEMBL7434317 0.89 POLB (0.46) POLBDRD4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7446327 0.89 SMN1; SMN2 (0.52) POLBALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL7432822 0.88 CA1 (0.49) POLBALDH1A1SMN1; SMN2LMNAHTT

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US claimed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed