SCHEMBL16486471

SCHEMBL16486471

O=C(O)C1=NC=CNc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.31
▸ KDM4E B2RXH2 4/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ ALPL P05186 2/20 0.31
▸ GSR P00390 2/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ DAO P14920 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NAPRT Q6XQN6 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ SRD5A2 P31213 2/20 0.30

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
SCHEMBL28023171 0.88 MAPT (0.32) MAPTGAAALDH1A1KDM4EMAPK1
SCHEMBL30030411 0.74 IDO1 (0.32) PLAUKMT2A
SCHEMBL27368384 0.74 IDO1 (0.32) PLAUKMT2A
SCHEMBL28190714 0.71 CASP1 (0.32) —
SCHEMBL27459327 0.70 — —
SCHEMBL28190715 0.70 — —
SCHEMBL1096641 0.67 MAOA (0.36) MAPTTDP1THRBALDH1A1KDM4E
SCHEMBL4186548 0.67 PTPRC (0.40) MAPTTDP1ALDH1A1PIM1DAO
SCHEMBL5220692 0.67 NOS2 (0.53) MAPTGAAALDH1A1KDM4EHSD17B10
SCHEMBL28072453 0.66 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082876-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT Genentech, Inc. (US) 2016-10-26 — — EP disclosed
CN-105848685-A Peptidomimetic compounds and antibody-drug conjugates thereof 健泰科生物技术公司 2016-08-10 — — CN disclosed
EP-3033111-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT Genentech, Inc. (US) 2016-06-22 — — EP disclosed
WO-2015095212-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT GENENTECH, INC. (US) 2015-06-25 — — WO disclosed
WO-2015023355-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT GENENTECH, INC. (US) 2015-02-19 — — WO disclosed
Send feedback