SCHEMBL29409541

SCHEMBL29409541

COc1ccc2[nH]c(I)c(CCNC(=O)CBr)c2c1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.80
MTNR1A P48039 10/20 0.77
MTNR1B P49286 9/20 0.77
NQO2 P16083 4/20 0.77
CYP1A2 P05177 2/20 0.77
CYP3A4 P08684 2/20 0.77
CYP2D6 P10635 2/20 0.77
CYP2C9 P11712 2/20 0.77
CYP2C19 P33261 2/20 0.77
TSHR P16473 1/20 0.77
KDM4E B2RXH2 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
POLB P06746 1/20 0.56
MDM2 Q00987 1/20 0.56

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
SCHEMBL4756887 0.89 ALDH1A1 (1.00) ALDH1A1MTNR1AMTNR1BNQO2CYP1A2
Iodomelatonin SCHEMBL163451 0.87 MTNR1A (1.00) ALDH1A1MTNR1AMTNR1BNQO2CYP1A2
SCHEMBL8946919 0.82 MTNR1A (0.78) ALDH1A1MTNR1AMTNR1BNQO2CYP1A2
SCHEMBL18222560 0.77 MTNR1A (0.78) ALDH1A1MTNR1AMTNR1BNQO2CYP1A2
SCHEMBL7794103 0.77 MTNR1A (0.79) ALDH1A1MTNR1AMTNR1BNQO2CYP1A2
SCHEMBL25969437 0.76 MTNR1A (0.64) ALDH1A1MTNR1AMTNR1BNQO2CYP1A2
SCHEMBL6950433 0.76 ALDH1A1 (0.70) ALDH1A1MTNR1AMTNR1BNQO2CYP1A2
SCHEMBL1311849 0.75 MTNR1A (1.00) ALDH1A1MTNR1AMTNR1BNQO2CYP1A2
SCHEMBL3221458 0.75 KDM4E (0.84) ALDH1A1MTNR1AMTNR1BNQO2CYP1A2
SCHEMBL8946961 0.75 HTR6 (0.72) ALDH1A1MTNR1AMTNR1BNQO2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118865382-A Road defect identification method, system, storage medium, equipment and program 陕西师范大学 2024-10-29 CN disclosed
CN-114378840-B Control method of transmission system in semiconductor process equipment and semiconductor process equipment 西安北方华创微电子装备有限公司 2024-06-14 CN disclosed
US-20220076642-A1 DISPLAY DEVICE AND DISPLAY SYSTEM JAPAN DISPLAY INC. (JP) 2022-03-10 US disclosed