SCHEMBL22002604

SCHEMBL22002604

C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(N5c6ccccc6S(C)(C)c6ccccc65)cc4)n3-c3ccccc3)cc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 2/20 0.42
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GLA P06280 1/20 0.38
▸ OXTR P30559 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ AVPR2 P30518 1/20 0.34

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
SCHEMBL17879344 0.90 AVPR1A (0.50) AVPR1AHPGDSMN1; SMN2GLAOXTR
SCHEMBL17879353 0.89 AVPR1A (0.53) AVPR1AHPGDSMN1; SMN2GLAOXTR
SCHEMBL22002603 0.82 NPC1 (0.39) HPGDSMN1; SMN2GLAKDM4EHSD17B10
SCHEMBL17640519 0.81 NR1H3 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL17879369 0.77 AVPR1A (0.56) AVPR1AHPGDSMN1; SMN2GLAOXTR
SCHEMBL23085303 0.77 HPGD (0.39) AVPR1AHPGDSMN1; SMN2GLAOXTR
SCHEMBL17640560 0.76 RAB9A (0.44) HPGDSMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL17536166 0.76 AVPR1A (0.59) AVPR1AHPGDSMN1; SMN2GLAOXTR
SCHEMBL29362431 0.76 AVPR1A (0.59) AVPR1AHPGDSMN1; SMN2GLAOXTR
SCHEMBL17640572 0.75 CYP19A1 (0.37) —

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-10862047-B2 Organic electroluminescent device KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-12-08 — — US disclosed
US-10658596-B2 — — 2020-05-19 — — US disclosed
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