SCHEMBL9976893

SCHEMBL9976893

c1ccc(-c2ccc3nc(-c4ccc(-c5cc6ccc7ccccc7c6c6ccccc56)cc4)cn3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 14/20 0.63
▸ ALDH1A1 P00352 7/20 0.63
▸ ALDH1A2 O94788 1/20 0.63
▸ SLC2A1 P11166 1/20 0.58
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CYP2C9 P11712 1/20 0.45
▸ NR4A2 P43354 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ POLB P06746 1/20 0.41

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
SCHEMBL9976926 0.86 ALDH1A3 (0.68) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL9611916 0.85 RAB9A (0.55) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL18346995 0.80 ALDH1A3 (0.53) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL13325768 0.80 ALDH1A3 (1.00) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL18200436 0.79 ALDH1A3 (0.60) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL19768409 0.78 ALDH1A3 (0.56) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL9611794 0.78 BACE1 (0.50) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL9976895 0.78 RAB9A (0.52) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL785129 0.78 ALDH1A3 (0.67) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL9976906 0.78 RAB9A (0.48) ALDH1A1NPC1RAB9AKDM4EHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47654-E1 Organic electroluminescence device IDEMITSU KOASN CO., LTD. (JP) 2019-10-22 — — US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 — — US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 — — US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 — — US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 — — US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 — — US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 — — US disclosed
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