SCHEMBL9017422

SCHEMBL9017422

C/C=C/C(=O)NCCC1c2cc(OC)ccc2-c2ccc(OC)cc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
LY96 Q9Y6Y9 1/20 0.47
MTNR1A P48039 14/20 0.45
MTNR1B P49286 14/20 0.45
NQO2 P16083 12/20 0.43
ALDH1A1 P00352 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
BRD4 O60885 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8638887 1.00 SMN1; SMN2 (0.49) SMN1; SMN2LY96MTNR1AMTNR1BNQO2
SCHEMBL8643630 0.83 MTNR1A (0.60) SMN1; SMN2MTNR1AMTNR1BNQO2
SCHEMBL8641851 0.81 MTNR1A (0.45) LY96MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL8639949 0.81 MTNR1A (0.49) SMN1; SMN2MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL8646700 0.81 MTNR1A (0.61) MTNR1AMTNR1BNQO2
SCHEMBL8646238 0.80 MTNR1A (0.48) MTNR1AMTNR1BNQO2LMNAKMT2A
SCHEMBL9017429 0.80 MTNR1A (0.49) SMN1; SMN2MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL8641737 0.80 MTNR1A (0.62) MTNR1AMTNR1BNQO2ALDH1A1MAPT
SCHEMBL8640441 0.79 NQO2 (0.63) MTNR1AMTNR1BNQO2
SCHEMBL8638751 0.79 MTNR1A (0.54) MTNR1AMTNR1BNQO2ALDH1A1

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
EP-0747345-A2 Ethylamido fluorenes and improved method of making same BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP claimed
EP-0747345-A2 Ethylamido fluorenes and improved method of making same BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed