SCHEMBL9203076

SCHEMBL9203076

CN1C(=O)c2ccccc2[C@@H](N)[C@@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
FFAR1 O14842 1/20 0.51
LMNA P02545 1/20 0.48
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 4/20 0.42
MAPT P10636 1/20 0.41
GAA P10253 2/20 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
SCHEMBL9203085 1.00 HTT (0.51) HTTFFAR1LMNAALDH1A1CYP1A2
SCHEMBL9203080 1.00 HTT (0.51) HTTFFAR1LMNAALDH1A1CYP1A2
SCHEMBL7635143 0.75 KDM4E (0.46) HTTFFAR1LMNAALDH1A1CYP1A2
SCHEMBL31272103 0.75 KDM4E (0.46) HTTFFAR1LMNAALDH1A1CYP1A2
SCHEMBL9511293 0.75 KMT2A (0.45) LMNAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL9511305 0.75 KMT2A (0.45) LMNAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL9508090 0.75 KMT2A (0.45) LMNAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL13704044 0.70 GPR3 (0.60) HTTFFAR1LMNAALDH1A1CYP1A2
SCHEMBL22792110 0.70 GPR3 (0.60) HTTFFAR1LMNAALDH1A1CYP1A2
SCHEMBL13704120 0.70 GPR3 (0.60) HTTFFAR1LMNAALDH1A1CYP1A2

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-0550635-B1 FUSED RING ANALOGS OF NITROGEN CONTAINING NONAROMATIC HETEROCYCLES PFIZER (US) 1995-04-19 EP disclosed
WO-1992006079-A1 FUSED RING ANALOGS OF NITROGEN CONTAINING NONAROMATIC HETEROCYCLES PFIZER INC. (US) 1992-04-16 WO disclosed