SCHEMBL14570537

SCHEMBL14570537

COC(=O)Cc1ccc2cc(C)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ HSD17B10 Q99714 3/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ NCK1 P16333 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ CYSLTR2 Q9NS75 1/20 0.42
▸ CYSLTR1 Q9Y271 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ USP2 O75604 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
SCHEMBL31434423 0.81 NCK1 (0.50) KDM4ERAB9AMAPTCYP1A2NCK1
SCHEMBL19941893 0.81 NCK1 (0.50) KDM4ERAB9AMAPTCYP1A2NCK1
SCHEMBL14597730 0.80 BACE1 (0.47) KDM4ELMNABACE1MEN1KMT2A
SCHEMBL3533290 0.80 CYP1A2 (0.62) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27459309 0.79 ALDH1A1 (0.44) LMNACYP1A2MEN1KMT2AALDH1A1
SCHEMBL3652540 0.75 CYP1A2 (0.57) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30896202 0.74 KDM4E (0.55) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6834551 0.74 KDM4E (0.55) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8935104 0.74 ALDH1A1 (0.53) KDM4ENPC1RAB9ASMN1; SMN2MAPT
Bromide SCHEMBL28322147 0.73 ALDH1A1 (0.54) KDM4ENPC1RAB9ASMN1; SMN2MAPT

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-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 — — US disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 — — US disclosed
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