SCHEMBL14425591

SCHEMBL14425591

c1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.65
▸ CYP1B1 Q16678 1/20 0.65
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ CYP1A2 P05177 2/20 0.54
▸ GLA P06280 1/20 0.53
▸ NTSR1 P30989 1/20 0.51
▸ CTRC Q99895 1/20 0.50
▸ HSD17B1 P14061 1/20 0.49
▸ HSD17B2 P37059 1/20 0.49
▸ ESR1 P03372 3/20 0.47
▸ ESR2 Q92731 3/20 0.47
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL19397526 1.00 CYP1A1 (0.65) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL18134323 1.00 CYP1A1 (0.65) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL18134316 1.00 CYP1A1 (0.65) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19397517 1.00 CYP1A1 (0.65) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL22309334 0.98 CYP1A1 (0.63) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19397413 0.98 CYP1A1 (0.62) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL14425933 0.98 CYP1A1 (0.62) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL22308761 0.97 CYP1A1 (0.61) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL22309612 0.97 CYP1A1 (0.61) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL22309914 0.97 CYP1A1 (0.61) CYP1A1CYP1B1MEN1KMT2AALDH1A1

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-20070190355-A1 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD (JP) 2007-08-16 — — US disclosed
US-20070190355-A1 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD (JP) 2007-08-16 — — US disclosed
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